7I6C
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-0037612-001 (A71EV2A-x4947)
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 | 2025-01-30 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92204 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 86.708, 57.731, 64.991 |
| Unit cell angles | 90.00, 94.82, 90.00 |
Refinement procedure
| Resolution | 37.730 - 1.407 |
| R-factor | 0.2132 |
| Rwork | 0.213 |
| R-free | 0.22470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.950 |
| 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] | 37.740 | 1.410 |
| High resolution limit [Å] | 1.390 | 1.390 |
| Rmerge | 0.151 | 2.889 |
| Rmeas | 0.164 | 3.276 |
| Rpim | 0.064 | 1.517 |
| Total number of observations | 394881 | 11893 |
| Number of reflections | 62439 | 2642 |
| <I/σ(I)> | 4.5 | 0.1 |
| Completeness [%] | 96.4 | |
| Redundancy | 6.3 | 4.5 |
| CC(1/2) | 0.992 | 0.277 |
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 |
