9FWC
Coxsackievirus B3 3C protease in C121 spacegroup
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 | 2023-12-12 |
Detector | DECTRIS EIGER2 XE 9M |
Wavelength(s) | 0.9212 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 78.503, 64.871, 39.430 |
Unit cell angles | 90.00, 115.87, 90.00 |
Refinement procedure
Resolution | 47.778 - 1.340 |
Rwork | 0.154 |
R-free | 0.20290 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 2.199 |
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] | 47.780 | 1.360 |
High resolution limit [Å] | 1.340 | 1.340 |
Number of reflections | 26456 | 100 |
<I/σ(I)> | 29.2 | |
Completeness [%] | 66.3 | |
Redundancy | 5.6 | |
CC(1/2) | 0.992 | 0.648 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | ShotGun1 Eco 0.2 Magnesium chloride hexahydrate 0.1 M Tris, pH 8.5 30% w/v PEG4000 |