7H31
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 Z438067480 (A71EV2A-x0239)
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 | 86.620, 56.420, 32.550 |
Unit cell angles | 90.00, 95.26, 90.00 |
Refinement procedure
Resolution | 32.430 - 1.530 |
R-factor | 0.24854 |
Rwork | 0.247 |
R-free | 0.26837 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.021 |
RMSD bond angle | 2.432 |
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] | 32.410 | 1.570 |
High resolution limit [Å] | 1.530 | 1.530 |
Rmerge | 0.170 | 3.837 |
Rmeas | 0.185 | 4.148 |
Rpim | 0.071 | 1.559 |
Total number of observations | 154140 | 12097 |
Number of reflections | 22991 | 1761 |
<I/σ(I)> | 6.4 | 0.5 |
Completeness [%] | 97.3 | |
Redundancy | 6.7 | 6.9 |
CC(1/2) | 0.995 | 0.256 |
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 |