7HZJ
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-0025094-002 (A71EV2A-x1779)
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 | 2024-07-04 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92134 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 86.348, 56.844, 32.478 |
| Unit cell angles | 90.00, 95.01, 90.00 |
Refinement procedure
| Resolution | 47.420 - 1.280 |
| R-factor | 0.18102 |
| Rwork | 0.179 |
| R-free | 0.20913 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.799 |
| 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] | 47.420 | 1.300 |
| High resolution limit [Å] | 1.280 | 1.280 |
| Rmerge | 0.062 | 0.807 |
| Rmeas | 0.068 | 1.070 |
| Rpim | 0.027 | 0.691 |
| Total number of observations | 215935 | 2838 |
| Number of reflections | 38262 | 1184 |
| <I/σ(I)> | 19.3 | 1 |
| Completeness [%] | 94.6 | |
| Redundancy | 5.6 | 2.4 |
| CC(1/2) | 0.998 | 0.317 |
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 |
