7HZT
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-0032043-001 (A71EV2A-x3234)
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 | 2024-10-10 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92208 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 86.448, 56.803, 64.919 |
| Unit cell angles | 90.00, 94.63, 90.00 |
Refinement procedure
| Resolution | 32.370 - 1.200 |
| R-factor | 0.19055 |
| Rwork | 0.190 |
| R-free | 0.20297 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.731 |
| 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] | 32.360 | 1.220 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.055 | 0.988 |
| Rmeas | 0.060 | 1.351 |
| Rpim | 0.024 | 0.916 |
| Total number of observations | 444998 | 1882 |
| Number of reflections | 81081 | 1274 |
| <I/σ(I)> | 17.5 | 0.4 |
| Completeness [%] | 83.0 | |
| Redundancy | 5.5 | 1.5 |
| CC(1/2) | 0.998 | 0.392 |
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 |
