8Y2U
Crystal structure of 3C protease from coxsackievirus B4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL10U2 |
Synchrotron site | SSRF |
Beamline | BL10U2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-04-30 |
Detector | DECTRIS EIGER2 S 9M |
Wavelength(s) | 0.979183 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.099, 64.426, 67.991 |
Unit cell angles | 90.00, 92.47, 90.00 |
Refinement procedure
Resolution | 39.060 - 2.010 |
R-factor | 0.199460869013 |
Rwork | 0.197 |
R-free | 0.24414 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.947 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.930 | 2.060 |
High resolution limit [Å] | 2.010 | 2.010 |
Rmerge | 0.294 | 1.639 |
Number of reflections | 22518 | 1662 |
<I/σ(I)> | 5.9 | |
Completeness [%] | 99.7 | |
Redundancy | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.16 M Magnesium chloride hexahydrate 0.08 M TRIS hydrochloride pH 8.5 24% w/v Polyethylene glycol 4000 20% v/v Glycerol |