Magnesium in PDB 5fq5: Crystal Structure of CAS9-Sgrna-Dna Complex Solved By Native Sad Phasing

The structure of Crystal Structure of CAS9-Sgrna-Dna Complex Solved By Native Sad Phasing, PDB code: 5fq5 was solved by V.Olieric, T.Weinert, A.Finke, C.Anders, M.Jinek, M.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.91 / 2.14
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	177.740, 67.570, 188.190, 90.00, 111.31, 90.00
R / Rfree (%)	19.1 / 22.5

The structure of Crystal Structure of CAS9-Sgrna-Dna Complex Solved By Native Sad Phasing also contains other interesting chemical elements:

Potassium

(K)

13 atoms

The binding sites of Magnesium atom in the Crystal Structure of CAS9-Sgrna-Dna Complex Solved By Native Sad Phasing (pdb code 5fq5). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of CAS9-Sgrna-Dna Complex Solved By Native Sad Phasing, PDB code: 5fq5:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of CAS9-Sgrna-Dna Complex Solved By Native Sad Phasing


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of CAS9-Sgrna-Dna Complex Solved By Native Sad Phasing within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1083 b:62.0 occ:1.00 O A:HOH3112 1.8 62.7 1.0 O A:HOH3300 1.9 61.6 1.0 O A:HOH3104 2.1 41.5 1.0 O A:HOH3301 2.2 34.2 1.0 O A:HOH3299 2.2 53.3 1.0 O A:HOH3102 2.2 43.8 1.0 O A:HOH3160 3.6 30.1 1.0 O4 A:U22 3.9 29.8 1.0 OP2 A:G21 4.1 37.4 1.0 O A:HOH3168 4.2 34.3 1.0 K A:K2084 4.2 40.4 0.8 HH12 B:ARG403 4.3 54.7 1.0 O A:HOH3170 4.3 39.1 1.0 N7 A:G21 4.3 30.2 1.0 H5 A:U22 4.5 37.5 1.0 NH1 B:ARG403 4.5 45.6 1.0 O A:HOH3096 4.6 51.7 1.0 O A:HOH3101 4.6 30.4 1.0 H62 A:A48 4.7 33.5 1.0 HH11 B:ARG403 4.7 54.7 1.0 H61 A:A49 4.7 34.3 1.0 H5'' A:A20 4.8 43.1 1.0 C4 A:U22 4.8 31.0 1.0 H61 A:A48 4.8 33.5 1.0 O A:HOH3191 4.8 37.1 1.0 H8 A:G21 4.9 38.9 1.0 HH22 B:ARG403 4.9 60.0 1.0 CZ B:ARG403 5.0 48.0 1.0 H3' A:A20 5.0 46.0 1.0 O A:HOH3182 5.0 37.1 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of CAS9-Sgrna-Dna Complex Solved By Native Sad Phasing


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of CAS9-Sgrna-Dna Complex Solved By Native Sad Phasing within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1084 b:29.5 occ:1.00 OP1 A:U50 2.0 27.3 1.0 O A:HOH3185 2.1 30.3 1.0 O A:HOH3183 2.1 25.9 1.0 O A:HOH3187 2.2 23.0 1.0 O A:HOH3184 2.2 20.9 1.0 O A:HOH3209 2.2 24.7 1.0 P A:U50 3.4 26.6 1.0 HZ2 B:LYS1123 3.5 36.3 1.0 H5'' A:U50 4.0 31.1 1.0 OP2 A:U50 4.0 30.6 1.0 O6 A:G62 4.0 29.4 1.0 HZ1 B:LYS1123 4.0 36.3 1.0 O A:HOH3239 4.0 31.7 1.0 O A:HOH3192 4.1 27.8 1.0 O5' A:U50 4.1 27.9 1.0 O A:HOH3186 4.1 34.7 1.0 NZ B:LYS1123 4.1 30.3 1.0 O A:HOH3023 4.1 29.1 1.0 HZ3 B:LYS1123 4.1 36.3 1.0 H1 A:G62 4.2 35.9 1.0 O A:HOH3022 4.3 38.5 1.0 OP2 A:A52 4.3 28.0 1.0 OP1 A:A52 4.4 29.4 1.0 O A:HOH3188 4.4 37.3 1.0 OP1 A:A51 4.5 25.4 1.0 C5' A:U50 4.5 25.9 1.0 O3' A:A49 4.5 27.0 1.0 O6 A:G53 4.5 29.8 1.0 N7 A:G53 4.5 26.4 1.0 HG23 B:THR73 4.6 36.0 1.0 H5' A:A51 4.6 27.9 1.0 O A:HOH3176 4.7 31.5 1.0 H5' A:U50 4.8 31.1 1.0 P A:A52 4.9 27.4 1.0 C6 A:G62 4.9 29.1 1.0 N1 A:G62 4.9 29.9 1.0

V.Olieric, T.Weinert, A.D.Finke, C.Anders, D.Li, N.Olieric, C.N.Borca, M.O.Steinmetz, M.Caffrey, M.Jinek, M.Wang. Data-Collection Strategy For Challenging Native Sad Phasing. Acta Crystallogr.,Sect.D V. 72 421 2016.
ISSN: ISSN 0907-4449
PubMed: 26960129
DOI: 10.1107/S2059798315024110