7HZP
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-0031281-001 (A71EV2A-x2846)
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 | 2024-09-25 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92206 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 88.680, 58.239, 32.887 |
| Unit cell angles | 90.00, 90.81, 90.00 |
Refinement procedure
| Resolution | 44.370 - 1.600 |
| R-factor | 0.26443 |
| Rwork | 0.261 |
| R-free | 0.32116 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.421 |
| 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] | 44.340 | 1.660 |
| High resolution limit [Å] | 1.570 | 1.570 |
| Rmerge | 0.775 | 9.990 |
| Rmeas | 0.843 | 12.080 |
| Rpim | 0.327 | 4.783 |
| Total number of observations | 155785 | 21329 |
| Number of reflections | 23372 | 3404 |
| <I/σ(I)> | 1.8 | 0.3 |
| Completeness [%] | 99.9 | |
| Redundancy | 6.7 | 6.3 |
| CC(1/2) | 0.936 | 0.388 |
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 |
