Chlorine in PDB 7bmw: P62PH in Cesium Chloride (0.75 M Cscl in Cryo Protectant)

The structure of P62PH in Cesium Chloride (0.75 M Cscl in Cryo Protectant), PDB code: 7bmw was solved by W.Koelmel, J.Kuper, C.Kisker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.12 / 1.90
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	40.25, 101.76, 75.1, 90, 90, 90
R / Rfree (%)	19.8 / 22.1

The structure of P62PH in Cesium Chloride (0.75 M Cscl in Cryo Protectant) also contains other interesting chemical elements:

Caesium

(Cs)

5 atoms

The binding sites of Chlorine atom in the P62PH in Cesium Chloride (0.75 M Cscl in Cryo Protectant) (pdb code 7bmw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the P62PH in Cesium Chloride (0.75 M Cscl in Cryo Protectant), PDB code: 7bmw:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the P62PH in Cesium Chloride (0.75 M Cscl in Cryo Protectant)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of P62PH in Cesium Chloride (0.75 M Cscl in Cryo Protectant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl206 b:60.2 occ:1.00 NE A:ARG91 3.1 27.9 1.0 N A:GLY55 3.1 28.2 1.0 NH2 A:ARG91 3.4 26.0 1.0 CA A:PRO54 3.7 31.9 1.0 CS A:CS201 3.7 72.2 0.5 CZ A:ARG91 3.7 28.1 1.0 CB A:ARG91 3.9 30.3 1.0 C A:PRO54 3.9 32.4 1.0 CG A:ARG91 4.0 30.6 1.0 CG2 A:VAL59 4.0 26.1 1.0 CA A:GLY55 4.1 32.6 1.0 CD A:ARG91 4.2 29.4 1.0 O A:HOH376 4.3 37.1 1.0 CB A:PRO54 4.5 36.8 1.0 N A:SER56 4.6 25.8 1.0 O A:PRO53 4.8 31.2 1.0 C A:GLY55 4.8 28.4 1.0 O A:SER56 4.8 24.5 1.0 N A:PRO54 4.8 30.7 1.0

Chlorine binding site 2 out of 2 in the P62PH in Cesium Chloride (0.75 M Cscl in Cryo Protectant)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of P62PH in Cesium Chloride (0.75 M Cscl in Cryo Protectant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl207 b:63.7 occ:0.95 OD1 A:ASP89 3.2 40.1 1.0 O A:HOH345 3.2 27.9 1.0 O A:THR88 3.4 34.2 1.0 O A:HOH388 3.8 56.9 1.0 CA A:ASP89 4.1 33.0 1.0 CG A:ASP89 4.2 43.7 1.0 C A:THR88 4.2 32.4 1.0 CB A:ALA92 4.4 32.6 1.0 O A:HOH385 4.4 46.5 1.0 N A:ASP89 4.6 32.8 1.0 CB A:ASP89 4.6 36.4 1.0 O A:HOH391 4.9 51.5 1.0 CB A:THR88 5.0 36.1 1.0

W.Koelmel, J.Kuper, C.Kisker. Cesium Based Phasing of Macromolecules: A General Easy to Use Approach For Solving the Phase Problem. Sci Rep V. 11 17038 2021.
ISSN: ESSN 2045-2322
PubMed: 34426585
DOI: 10.1038/S41598-021-95186-1