7H4V
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 Z57663553 (A71EV2A-x1128)
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 | 2023-12-03 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.94054 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 72.502, 60.488, 32.350 |
Unit cell angles | 90.00, 92.68, 90.00 |
Refinement procedure
Resolution | 46.430 - 1.920 |
R-factor | 0.22429 |
Rwork | 0.223 |
R-free | 0.26084 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.409 |
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] | 46.450 | 1.960 |
High resolution limit [Å] | 1.920 | 1.920 |
Rmerge | 0.423 | 3.945 |
Rmeas | 0.456 | 4.259 |
Rpim | 0.170 | 1.588 |
Total number of observations | 76360 | 4917 |
Number of reflections | 10649 | 693 |
<I/σ(I)> | 5.6 | 0.8 |
Completeness [%] | 99.2 | |
Redundancy | 7.2 | 7.1 |
CC(1/2) | 0.978 | 0.168 |
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 |