7H2W
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 Z3765495818 (A71EV2A-x0202)
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 | 86.450, 56.590, 32.420 |
Unit cell angles | 90.00, 94.82, 90.00 |
Refinement procedure
Resolution | 47.300 - 1.470 |
R-factor | 0.23398 |
Rwork | 0.232 |
R-free | 0.27438 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.986 |
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] | 47.300 | 1.510 |
High resolution limit [Å] | 1.470 | 1.470 |
Rmerge | 0.069 | 3.508 |
Rmeas | 0.075 | 3.797 |
Rpim | 0.029 | 1.438 |
Total number of observations | 177733 | 13420 |
Number of reflections | 26303 | 1941 |
<I/σ(I)> | 13.1 | 0.5 |
Completeness [%] | 99.1 | |
Redundancy | 6.8 | 6.9 |
CC(1/2) | 0.999 | 0.484 |
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 |