Chlorine in PDB 6qy2: Pink Beam Serial Crystallography: Lysozyme, 5 Us Exposure, 750 Patterns Merged

All present enzymatic activity of Pink Beam Serial Crystallography: Lysozyme, 5 Us Exposure, 750 Patterns Merged:
3.2.1.17;

The structure of Pink Beam Serial Crystallography: Lysozyme, 5 Us Exposure, 750 Patterns Merged, PDB code: 6qy2 was solved by J.Lieske, A.Tolstikova, A.Meents, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.54 / 1.70
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.860, 79.860, 38.020, 90.00, 90.00, 90.00
R / Rfree (%)	21.5 / 24.2

The structure of Pink Beam Serial Crystallography: Lysozyme, 5 Us Exposure, 750 Patterns Merged also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Pink Beam Serial Crystallography: Lysozyme, 5 Us Exposure, 750 Patterns Merged (pdb code 6qy2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Pink Beam Serial Crystallography: Lysozyme, 5 Us Exposure, 750 Patterns Merged, PDB code: 6qy2:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Pink Beam Serial Crystallography: Lysozyme, 5 Us Exposure, 750 Patterns Merged


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pink Beam Serial Crystallography: Lysozyme, 5 Us Exposure, 750 Patterns Merged within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:26.2 occ:1.00 HD22 A:ASN113 2.4 23.1 1.0 HB2 A:ASN113 2.9 21.4 1.0 HA A:ALA110 3.1 22.8 1.0 HG12 A:VAL109 3.2 28.0 0.6 ND2 A:ASN113 3.2 19.2 1.0 HG22 A:VAL109 3.4 27.9 0.4 CB A:ASN113 3.6 17.8 1.0 HB3 A:ASN113 3.6 21.4 1.0 HD2 A:ARG114 3.7 26.8 1.0 HD21 A:ASN113 3.8 23.1 1.0 HG3 A:ARG114 3.8 32.0 1.0 CG A:ASN113 3.9 20.6 1.0 HG13 A:VAL109 4.0 26.5 0.4 CA A:ALA110 4.0 19.0 1.0 O A:VAL109 4.1 18.4 1.0 CG1 A:VAL109 4.1 23.3 0.6 HG11 A:VAL109 4.3 28.0 0.6 CG2 A:VAL109 4.3 23.2 0.4 HB2 A:ALA110 4.4 30.8 1.0 C A:VAL109 4.4 19.3 1.0 N A:ALA110 4.4 19.0 1.0 CD A:ARG114 4.5 22.3 1.0 HG21 A:VAL109 4.5 27.9 0.4 HG13 A:VAL109 4.5 28.0 0.6 CG A:ARG114 4.6 26.7 1.0 HD3 A:ARG114 4.6 26.8 1.0 CB A:ALA110 4.7 25.7 1.0 CG1 A:VAL109 4.8 22.1 0.4 H A:ASN113 4.8 20.2 1.0 HB1 A:ALA110 4.8 30.8 1.0 HB A:VAL109 4.9 26.4 0.6 HG11 A:VAL109 4.9 26.5 0.4 H A:ALA110 4.9 22.8 1.0 CA A:ASN113 4.9 18.5 1.0 HG23 A:VAL109 4.9 27.9 0.4 HG2 A:ARG114 4.9 32.0 1.0

Chlorine binding site 2 out of 2 in the Pink Beam Serial Crystallography: Lysozyme, 5 Us Exposure, 750 Patterns Merged


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Pink Beam Serial Crystallography: Lysozyme, 5 Us Exposure, 750 Patterns Merged within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:31.4 occ:1.00 H A:GLY26 2.3 19.8 1.0 HG A:SER24 2.7 27.2 1.0 HA A:GLN121 2.8 29.9 1.0 HB2 A:SER24 2.9 27.1 1.0 HA3 A:GLY26 2.9 20.8 1.0 HG2 A:GLN121 3.0 56.4 1.0 OG A:SER24 3.1 22.6 1.0 N A:GLY26 3.1 16.5 1.0 HD11 A:ILE124 3.2 37.2 1.0 HD13 A:ILE124 3.4 37.2 1.0 CB A:SER24 3.5 22.6 1.0 CA A:GLY26 3.5 17.3 1.0 HG23 A:VAL120 3.5 26.1 1.0 CA A:GLN121 3.7 24.9 1.0 CD1 A:ILE124 3.7 31.0 1.0 HG12 A:ILE124 3.8 28.2 1.0 CG A:GLN121 3.8 47.0 1.0 H A:LEU25 4.0 23.7 1.0 HA2 A:GLY26 4.1 20.8 1.0 N A:LEU25 4.1 19.7 1.0 N A:GLN121 4.1 24.7 1.0 HB2 A:GLN121 4.1 39.6 1.0 HB3 A:SER24 4.1 27.1 1.0 CB A:GLN121 4.1 33.0 1.0 HB3 A:LEU25 4.2 21.7 1.0 HG3 A:GLN121 4.3 56.4 1.0 C A:LEU25 4.3 18.4 1.0 C A:SER24 4.3 22.6 1.0 CG1 A:ILE124 4.3 23.5 1.0 H A:ASN27 4.4 20.4 1.0 O A:VAL120 4.4 21.1 1.0 C A:VAL120 4.4 23.3 1.0 H A:GLN121 4.4 29.6 1.0 CG2 A:VAL120 4.5 21.7 1.0 CA A:SER24 4.5 21.4 1.0 HD12 A:ILE124 4.6 37.2 1.0 C A:GLY26 4.6 16.2 1.0 CA A:LEU25 4.6 19.6 1.0 HG21 A:VAL120 4.7 26.1 1.0 O A:SER24 4.8 17.8 1.0 N A:ASN27 4.8 17.0 1.0 HE21 A:GLN121 4.8 65.7 1.0 HG13 A:ILE124 4.8 28.2 1.0 C A:GLN121 4.9 25.2 1.0 CD A:GLN121 4.9 50.4 1.0 CB A:LEU25 4.9 18.1 1.0 HG21 A:ILE124 5.0 29.9 1.0 HB A:VAL120 5.0 26.0 1.0

A.Tolstikova, M.Levantino, O.Yefanov, V.Hennicke, P.Fischer, J.Meyer, A.Mozzanica, S.Redford, E.Crosas, N.L.Opara, M.Barthelmess, J.Lieske, D.Oberthuer, E.Wator, I.Mohacsi, M.Wulff, B.Schmitt, H.N.Chapman, A.Meents. 1 Khz Fixed-Target Serial Crystallography Using A Multilayer Monochromator and An Integrating Pixel Detector. Iucrj V. 6 927 2019.
ISSN: ESSN 2052-2525
PubMed: 31576225
DOI: 10.1107/S205225251900914X