7H2V
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z3664805965 (A71EV2A-x0194)
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-10-10 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.94056 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 86.275, 56.489, 32.443 |
Unit cell angles | 90.00, 95.44, 90.00 |
Refinement procedure
Resolution | 47.200 - 1.050 |
R-factor | 0.17808 |
Rwork | 0.177 |
R-free | 0.19155 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.860 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.210 | 1.070 |
High resolution limit [Å] | 1.050 | 1.050 |
Rmerge | 0.080 | 2.190 |
Rmeas | 0.087 | 2.535 |
Rpim | 0.033 | 1.263 |
Total number of observations | 411301 | 5288 |
Number of reflections | 65215 | 1430 |
<I/σ(I)> | 12.4 | 0.3 |
Completeness [%] | 90.4 | |
Redundancy | 6.3 | 3.7 |
CC(1/2) | 0.996 | 0.243 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.05 | 293.15 | 0.1 M MES, pH 6.05, 16 % PEG 20,000 |