Magnesium in PDB 7q7n: Room Temperature Structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H Mutant at 120 Mpa Helium Gas Pressure in A Sapphire Capillary

The structure of Room Temperature Structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H Mutant at 120 Mpa Helium Gas Pressure in A Sapphire Capillary, PDB code: 7q7n was solved by J.Lieske, S.Guenther, S.Saouane, G.K.Selikhanov, A.G.Gabdulkhakov, A.Meents, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.91 / 2.87
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	102.13, 102.13, 237.61, 90, 90, 90
R / Rfree (%)	18.9 / 22.8

The structure of Room Temperature Structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H Mutant at 120 Mpa Helium Gas Pressure in A Sapphire Capillary also contains other interesting chemical elements:

Iron	(Fe)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Magnesium atom in the Room Temperature Structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H Mutant at 120 Mpa Helium Gas Pressure in A Sapphire Capillary (pdb code 7q7n). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Room Temperature Structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H Mutant at 120 Mpa Helium Gas Pressure in A Sapphire Capillary, PDB code: 7q7n:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Room Temperature Structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H Mutant at 120 Mpa Helium Gas Pressure in A Sapphire Capillary


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Room Temperature Structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H Mutant at 120 Mpa Helium Gas Pressure in A Sapphire Capillary within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg302 b:26.9 occ:1.00 MG L:BCL302 0.0 26.9 1.0 ND L:BCL302 2.0 26.4 1.0 NB L:BCL302 2.1 27.6 1.0 NC L:BCL302 2.1 27.8 1.0 NA L:BCL302 2.2 27.3 1.0 NE2 L:HIS153 2.2 35.7 1.0 C4D L:BCL302 3.0 28.0 1.0 CE1 L:HIS153 3.1 36.3 1.0 C4B L:BCL302 3.1 28.5 1.0 C1B L:BCL302 3.1 28.1 1.0 C1C L:BCL302 3.1 28.1 1.0 C1D L:BCL302 3.1 27.9 1.0 C4A L:BCL302 3.1 27.1 1.0 HE1 L:HIS153 3.2 43.5 1.0 C4C L:BCL302 3.2 28.7 1.0 C1A L:BCL302 3.2 27.3 1.0 CD2 L:HIS153 3.3 35.8 1.0 CHC L:BCL302 3.4 28.6 1.0 CHB L:BCL302 3.4 28.6 1.0 CHA L:BCL302 3.5 28.0 1.0 CHD L:BCL302 3.5 28.9 1.0 HD2 L:HIS153 3.5 42.9 1.0 HE2 M:TYR210 4.0 44.9 1.0 HBC1 L:BCL302 4.0 37.1 1.0 HBB3 L:BPH301 4.1 30.9 1.0 HBB2 L:BPH301 4.2 30.9 1.0 C3D L:BCL302 4.2 30.1 1.0 ND1 L:HIS153 4.2 37.6 1.0 HD12 L:LEU154 4.3 55.6 1.0 C2D L:BCL302 4.3 28.7 1.0 C2B L:BCL302 4.3 27.8 1.0 HD11 L:LEU154 4.3 55.6 1.0 C3B L:BCL302 4.3 29.0 1.0 CG L:HIS153 4.4 36.6 1.0 C2C L:BCL302 4.4 28.4 1.0 H202 L:BPH301 4.4 38.2 1.0 C3A L:BCL302 4.4 25.0 1.0 C3C L:BCL302 4.4 29.2 1.0 HBA1 L:BCL302 4.5 38.0 1.0 H201 L:BPH301 4.5 38.2 1.0 HHB L:BCL302 4.5 34.3 1.0 C2A L:BCL302 4.5 26.6 1.0 HHC L:BCL302 4.5 34.3 1.0 CBB L:BPH301 4.6 25.8 1.0 HHD L:BCL302 4.6 34.7 1.0 HBA2 L:BCL302 4.6 38.0 1.0 HBB1 L:BPH301 4.6 30.9 1.0 HMC1 L:BCL302 4.7 32.7 1.0 CD1 L:LEU154 4.7 46.4 1.0 HMA1 L:BCL302 4.7 27.8 1.0 CBC L:BCL302 4.9 31.0 1.0 CE2 M:TYR210 4.9 37.4 1.0 CBD L:BCL302 4.9 30.5 1.0 HD1 L:HIS153 4.9 45.1 1.0 HBC3 L:BCL302 4.9 37.1 1.0 CBA L:BCL302 5.0 31.7 1.0

Magnesium binding site 2 out of 4 in the Room Temperature Structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H Mutant at 120 Mpa Helium Gas Pressure in A Sapphire Capillary


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Room Temperature Structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H Mutant at 120 Mpa Helium Gas Pressure in A Sapphire Capillary within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg303 b:30.5 occ:1.00 MG L:BCL303 0.0 30.5 1.0 ND L:BCL303 2.0 33.8 1.0 NB L:BCL303 2.1 31.3 1.0 NE2 L:HIS173 2.1 47.3 1.0 NC L:BCL303 2.1 34.0 1.0 NA L:BCL303 2.2 31.2 1.0 CE1 L:HIS173 2.9 45.8 1.0 HBB3 M:BCL402 2.9 45.6 1.0 HE1 L:HIS173 3.0 54.9 1.0 C4D L:BCL303 3.0 34.5 1.0 C1B L:BCL303 3.1 31.3 1.0 C4B L:BCL303 3.1 31.6 1.0 C1C L:BCL303 3.1 34.0 1.0 C4A L:BCL303 3.1 30.8 1.0 C1D L:BCL303 3.2 34.5 1.0 C4C L:BCL303 3.2 33.1 1.0 C1A L:BCL303 3.2 32.8 1.0 CD2 L:HIS173 3.2 45.4 1.0 CHC L:BCL303 3.4 33.1 1.0 CHB L:BCL303 3.4 31.6 1.0 CHA L:BCL303 3.5 34.1 1.0 CHD L:BCL303 3.5 34.0 1.0 HD2 L:HIS173 3.5 54.4 1.0 CBB M:BCL402 3.9 38.1 1.0 HD2 L:PHE167 4.1 55.8 1.0 ND1 L:HIS173 4.1 45.5 1.0 CAB M:BCL402 4.2 39.0 1.0 HBB2 M:BCL402 4.2 45.6 1.0 C3D L:BCL303 4.3 34.8 1.0 CG L:HIS173 4.3 44.2 1.0 C2B L:BCL303 4.3 29.6 1.0 C3B L:BCL303 4.3 31.2 1.0 C2D L:BCL303 4.3 34.9 1.0 C3A L:BCL303 4.4 31.8 1.0 C2C L:BCL303 4.4 32.1 1.0 C3C L:BCL303 4.5 31.5 1.0 HD11 L:ILE177 4.5 42.2 1.0 HHB L:BCL303 4.5 38.0 1.0 HHC L:BCL303 4.5 39.7 1.0 C2A L:BCL303 4.5 33.1 1.0 OBB M:BCL402 4.5 38.7 1.0 HHD L:BCL303 4.5 40.8 1.0 HMA1 L:BCL303 4.6 37.7 1.0 HMB2 M:BCL402 4.7 47.0 1.0 HBB1 M:BCL402 4.7 45.6 1.0 C3B M:BCL402 4.7 40.0 1.0 HB3 L:PHE167 4.7 52.9 1.0 CD2 L:PHE167 4.7 46.6 1.0 HMC1 L:BCL303 4.8 36.8 1.0 HD1 L:HIS173 4.8 54.6 1.0 CMA L:BCL303 5.0 31.4 1.0 CBD L:BCL303 5.0 32.9 1.0

Magnesium binding site 3 out of 4 in the Room Temperature Structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H Mutant at 120 Mpa Helium Gas Pressure in A Sapphire Capillary


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Room Temperature Structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H Mutant at 120 Mpa Helium Gas Pressure in A Sapphire Capillary within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg402 b:39.3 occ:1.00 MG M:BCL402 0.0 39.3 1.0 ND M:BCL402 2.0 37.7 1.0 NB M:BCL402 2.1 39.7 1.0 NC M:BCL402 2.1 39.5 1.0 NA M:BCL402 2.2 38.0 1.0 NE2 M:HIS202 2.4 34.8 1.0 C4D M:BCL402 3.0 36.8 1.0 C4B M:BCL402 3.1 40.0 1.0 C1B M:BCL402 3.1 38.8 1.0 C1C M:BCL402 3.1 39.1 1.0 C4A M:BCL402 3.1 37.0 1.0 C1D M:BCL402 3.1 36.6 1.0 C4C M:BCL402 3.2 38.1 1.0 HBB1 L:BCL303 3.2 37.4 1.0 C1A M:BCL402 3.2 36.5 1.0 CE1 M:HIS202 3.3 35.6 1.0 HBB2 L:BCL303 3.3 37.4 1.0 HE1 M:HIS202 3.3 42.7 1.0 CHC M:BCL402 3.4 39.0 1.0 CHB M:BCL402 3.4 38.5 1.0 CHA M:BCL402 3.4 36.6 1.0 CD2 M:HIS202 3.4 35.5 1.0 CHD M:BCL402 3.5 35.9 1.0 CBB L:BCL303 3.6 31.2 1.0 HD2 M:HIS202 3.6 42.5 1.0 CAB L:BCL303 3.8 31.2 1.0 OBB L:BCL303 3.9 31.0 1.0 HD11 M:ILE206 4.0 41.5 1.0 C3D M:BCL402 4.2 36.9 1.0 C2B M:BCL402 4.3 38.9 1.0 C2D M:BCL402 4.3 36.8 1.0 C3B M:BCL402 4.3 40.0 1.0 C2C M:BCL402 4.4 39.2 1.0 ND1 M:HIS202 4.4 36.3 1.0 C3C M:BCL402 4.5 39.9 1.0 C3A M:BCL402 4.5 34.5 1.0 HHC M:BCL402 4.5 46.8 1.0 C2A M:BCL402 4.5 35.4 1.0 C3B L:BCL303 4.5 31.2 1.0 HHB M:BCL402 4.5 46.1 1.0 CG M:HIS202 4.6 36.2 1.0 HHD M:BCL402 4.6 43.1 1.0 HMC1 M:BCL402 4.6 46.4 1.0 HBB3 L:BCL303 4.7 37.4 1.0 HD12 M:LEU196 4.8 43.6 1.0 CBD M:BCL402 4.9 37.2 1.0 HG13 M:ILE206 4.9 40.7 1.0 CD1 M:ILE206 4.9 34.6 1.0 HMA1 M:BCL402 5.0 38.9 1.0 HMB1 L:BCL303 5.0 32.3 1.0 H2A M:BCL402 5.0 42.5 1.0

Magnesium binding site 4 out of 4 in the Room Temperature Structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H Mutant at 120 Mpa Helium Gas Pressure in A Sapphire Capillary


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Room Temperature Structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H Mutant at 120 Mpa Helium Gas Pressure in A Sapphire Capillary within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg403 b:24.9 occ:1.00 MG M:BCL403 0.0 24.9 1.0 ND M:BCL403 2.0 25.7 1.0 NB M:BCL403 2.1 26.2 1.0 NC M:BCL403 2.1 26.4 1.0 NA M:BCL403 2.2 28.3 1.0 NE2 M:HIS182 2.2 41.6 1.0 C4D M:BCL403 3.0 27.0 1.0 CE1 M:HIS182 3.0 40.3 1.0 C1B M:BCL403 3.1 27.2 1.0 C4B M:BCL403 3.1 26.3 1.0 C1C M:BCL403 3.1 27.2 1.0 C1D M:BCL403 3.1 26.1 1.0 C4A M:BCL403 3.1 28.0 1.0 HE1 M:HIS182 3.1 48.3 1.0 C4C M:BCL403 3.1 25.5 1.0 C1A M:BCL403 3.2 29.0 1.0 CD2 M:HIS182 3.3 40.1 1.0 CHB M:BCL403 3.4 27.7 1.0 CHC M:BCL403 3.4 26.1 1.0 CHA M:BCL403 3.5 28.6 1.0 CHD M:BCL403 3.5 25.6 1.0 HD2 M:HIS182 3.5 48.1 1.0 HM52 M:SPN409 4.0 51.0 0.6 HE2 L:PHE181 4.1 43.3 1.0 ND1 M:HIS182 4.2 41.3 1.0 C3D M:BCL403 4.2 28.9 1.0 HBB3 M:BPH304 4.3 33.8 1.0 C2B M:BCL403 4.3 27.6 1.0 C2D M:BCL403 4.3 27.7 1.0 C3B M:BCL403 4.3 28.2 1.0 CG M:HIS182 4.3 40.6 1.0 HBB2 M:BPH304 4.3 33.8 1.0 HBA2 M:BCL403 4.4 42.6 1.0 H3A M:OLC408 4.4 50.6 0.4 C3A M:BCL403 4.4 28.4 1.0 C2C M:BCL403 4.4 27.2 1.0 C3C M:BCL403 4.4 26.9 1.0 HHB M:BCL403 4.5 33.3 1.0 C2A M:BCL403 4.5 29.8 1.0 HBC1 M:BCL403 4.5 33.7 1.0 HHC M:BCL403 4.5 31.3 1.0 HHD M:BCL403 4.5 30.6 1.0 HD23 M:LEU183 4.6 48.3 1.0 HMA1 M:BCL403 4.6 33.8 1.0 CBB M:BPH304 4.8 28.2 1.0 H141 M:SPN409 4.8 50.4 0.6 HD21 M:LEU183 4.9 48.3 1.0 CBD M:BCL403 4.9 30.5 1.0 HD1 M:HIS182 4.9 49.5 1.0 CM5 M:SPN409 5.0 42.5 0.6 HMC1 M:BCL403 5.0 31.4 1.0 HM53 M:SPN409 5.0 51.0 0.6

J.Lieske, S.Saouane, S.Guenther, J.Meyer, T.Pakendorf, B.Reime, A.Burkhardt, E.Crosas, J.Hakanpaeae, K.Stachnik, J.Sieg, M.Rarey, M.H.Abdellatif, A.G.Gabdulkhakov, G.K.Selikhanov, H.N.Chapman, A.Meents. Fixed-Target High-Pressure Macromolecular Crystallography To Be Published.