Sodium in PDB 8a2o: Room-Temperature Structure of the Stabilised A2A-Theophylline Complex Determined By Synchrotron Serial Crystallography

The structure of Room-Temperature Structure of the Stabilised A2A-Theophylline Complex Determined By Synchrotron Serial Crystallography, PDB code: 8a2o was solved by I.Moraes, T.O.C.Kwan, D.Axford, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.63 / 3.45
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	40.531, 182.311, 144.267, 90, 90, 90
R / Rfree (%)	21.9 / 24.1

The binding sites of Sodium atom in the Room-Temperature Structure of the Stabilised A2A-Theophylline Complex Determined By Synchrotron Serial Crystallography (pdb code 8a2o). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Room-Temperature Structure of the Stabilised A2A-Theophylline Complex Determined By Synchrotron Serial Crystallography, PDB code: 8a2o:

Sodium binding site 1 out of 1 in the Room-Temperature Structure of the Stabilised A2A-Theophylline Complex Determined By Synchrotron Serial Crystallography


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Room-Temperature Structure of the Stabilised A2A-Theophylline Complex Determined By Synchrotron Serial Crystallography within 5.0Å range: probe atom residue distance (Å) B Occ A:Na2410 b:130.8 occ:1.00 OD1 A:ASP52 2.6 97.8 1.0 OG A:SER91 3.0 96.8 1.0 O A:HOH3811 3.5 82.6 1.0 CG A:ASP52 3.7 97.8 1.0 OD1 A:ASN280 3.8 96.8 1.0 CB A:SER91 4.0 96.9 1.0 OG A:SER281 4.2 99.6 1.0 CB A:ALA51 4.2 95.2 1.0 O A:LEU87 4.3 90.6 1.0 C A:ALA51 4.3 94.7 1.0 N A:ASP52 4.4 94.9 1.0 O A:ALA51 4.4 94.5 1.0 CA A:ASP52 4.4 94.6 1.0 OD2 A:ASP52 4.5 99.4 1.0 CG2 A:VAL55 4.5 83.1 1.0 CB A:ASP52 4.7 96.0 1.0 CG A:ASN280 4.9 97.8 1.0 CA A:ALA51 4.9 94.2 1.0 CE1 A:PHE242 5.0 92.3 1.0

J.Birch, T.O.C.Kwan, P.J.Judge, D.Axford, P.Aller, A.Butryn, R.I.Reis, J.Vinals, R.L.Owen, E.Nango, R.Tanaka, K.Tono, Y.Joti, T.Tanaka, S.Owada, M.Sugahara, S.Iwata, A.M.Orville, A.Watts, I.Moraes. A Versatile Approach to High-Density Microcrystals in Lipidic Cubic Phase For Room-Temperature Serial Crystallography J.Appl.Crystallogr. V. 56 2023.
ISSN: ESSN 1600-5767
DOI: 10.1107/S1600576723006428