7HUP
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-0031754-001 (A71EV2A-x3193)
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 | 2024-10-08 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92209 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 73.234, 61.852, 32.721 |
| Unit cell angles | 90.00, 93.12, 90.00 |
Refinement procedure
| Resolution | 36.560 - 1.769 |
| R-factor | 0.2781 |
| Rwork | 0.276 |
| R-free | 0.33710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.970 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4 (23-JAN-2024)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.560 | 1.860 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.184 | 1.911 |
| Rmeas | 0.199 | 2.070 |
| Rpim | 0.075 | 0.789 |
| Total number of observations | 98710 | 13908 |
| Number of reflections | 14310 | 2057 |
| <I/σ(I)> | 4.1 | 1 |
| Completeness [%] | 100.0 | |
| Redundancy | 6.9 | 6.8 |
| CC(1/2) | 0.995 | 0.401 |
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 |
