7HZL
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-0030497-001 (A71EV2A-x2339)
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 | 2024-09-05 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92134 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 88.158, 57.664, 32.736 |
| Unit cell angles | 90.00, 92.26, 90.00 |
Refinement procedure
| Resolution | 48.250 - 1.660 |
| R-factor | 0.19184 |
| Rwork | 0.188 |
| R-free | 0.25990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.479 |
| 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] | 48.230 | 1.690 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Rmerge | 0.072 | 2.542 |
| Rmeas | 0.078 | 2.742 |
| Rpim | 0.030 | 1.021 |
| Total number of observations | 134504 | 6806 |
| Number of reflections | 19414 | 960 |
| <I/σ(I)> | 14 | 0.5 |
| Completeness [%] | 99.9 | |
| Redundancy | 6.9 | 7.1 |
| CC(1/2) | 0.998 | 0.374 |
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 |
