7H3F
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 Z56960214 (A71EV2A-x0379)
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) | 0.94055 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 86.640, 56.440, 32.520 |
Unit cell angles | 90.00, 95.07, 90.00 |
Refinement procedure
Resolution | 47.240 - 1.760 |
R-factor | 0.29458 |
Rwork | 0.291 |
R-free | 0.35938 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.624 |
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] | 47.240 | 1.810 |
High resolution limit [Å] | 1.760 | 1.760 |
Rmerge | 0.296 | 2.383 |
Rmeas | 0.324 | 2.588 |
Rpim | 0.129 | 0.997 |
Total number of observations | 96040 | 7505 |
Number of reflections | 15061 | 1148 |
<I/σ(I)> | 4.3 | 0.7 |
Completeness [%] | 96.8 | |
Redundancy | 6.4 | 6.5 |
CC(1/2) | 0.985 | 0.346 |
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 |