9FSB
Coxsackievirus B3 3C protease in P121 spacegroup
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-03-09 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 51.485, 45.967, 66.884 |
| Unit cell angles | 90.00, 101.56, 90.00 |
Refinement procedure
| Resolution | 50.441 - 1.592 |
| Rwork | 0.209 |
| R-free | 0.30080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.585 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.441 | 1.620 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Number of reflections | 33816 | 1991 |
| <I/σ(I)> | 4.6 | |
| Completeness [%] | 81.7 | |
| Redundancy | 6 | |
| CC(1/2) | 0.993 | 0.392 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | Shotgun1 A01 0.1 M Magnesium chloride, 0.1 M TRIS pH 8.2, 25% PEG 4K |
