7HZN
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-0018764-002 (A71EV2A-x2448)
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 | 86.973, 56.731, 32.645 |
| Unit cell angles | 90.00, 95.46, 90.00 |
Refinement procedure
| Resolution | 47.450 - 1.330 |
| R-factor | 0.18395 |
| Rwork | 0.183 |
| R-free | 0.19796 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.717 |
| 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] | 47.510 | 1.350 |
| High resolution limit [Å] | 1.330 | 1.330 |
| Rmerge | 0.116 | 1.710 |
| Rmeas | 0.126 | 2.084 |
| Rpim | 0.050 | 1.155 |
| Total number of observations | 207562 | 4432 |
| Number of reflections | 35567 | 1438 |
| <I/σ(I)> | 11.1 | 0.6 |
| Completeness [%] | 97.8 | |
| Redundancy | 5.8 | 3.1 |
| CC(1/2) | 0.996 | 0.279 |
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 |
