7HZR
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-0031943-001 (A71EV2A-x3222)
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 | 86.432, 56.984, 64.746 |
| Unit cell angles | 90.00, 94.74, 90.00 |
Refinement procedure
| Resolution | 32.280 - 1.310 |
| R-factor | 0.19378 |
| Rwork | 0.193 |
| R-free | 0.21444 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.590 |
| 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] | 32.260 | 1.330 |
| High resolution limit [Å] | 1.310 | 1.310 |
| Rmerge | 0.082 | 1.245 |
| Rmeas | 0.089 | 1.562 |
| Rpim | 0.035 | 0.919 |
| Total number of observations | 423821 | 7374 |
| Number of reflections | 73433 | 2741 |
| <I/σ(I)> | 10.5 | 0.3 |
| Completeness [%] | 97.5 | |
| Redundancy | 5.8 | 2.7 |
| CC(1/2) | 0.998 | 0.334 |
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 |
