7HVK
Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with ASAP-0032647-001 (A71EV2A-x3556)
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2024-11-14 |
Detector | DECTRIS EIGER2 XE 9M |
Wavelength(s) | 0.92203 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 89.175, 58.208, 32.786 |
Unit cell angles | 90.00, 91.41, 90.00 |
Refinement procedure
Resolution | 44.570 - 1.734 |
R-factor | 0.1968 |
Rwork | 0.195 |
R-free | 0.23640 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 0.910 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.4 (23-JAN-2024)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.570 | 1.830 |
High resolution limit [Å] | 1.730 | 1.730 |
Rmerge | 0.089 | 1.605 |
Rmeas | 0.098 | 1.787 |
Rpim | 0.042 | 0.771 |
Total number of observations | 95848 | 13449 |
Number of reflections | 17479 | 2547 |
<I/σ(I)> | 8.6 | 0.9 |
Completeness [%] | 100.0 | |
Redundancy | 5.5 | 5.3 |
CC(1/2) | 0.997 | 0.458 |
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 |