9FS7
Coxsackievirus A16 3C protease in C2 2 21 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 2 2 21 |
Unit cell lengths | 64.360, 65.170, 76.090 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.236 - 1.370 |
Rwork | 0.151 |
R-free | 0.20650 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.815 |
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] | 39.240 | 1.390 |
High resolution limit [Å] | 1.370 | 1.370 |
Number of reflections | 25094 | 323 |
<I/σ(I)> | 20.2 | |
Completeness [%] | 73.9 | |
Redundancy | 10.5 | |
CC(1/2) | 0.999 | 0.264 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | Shotgun1 well A01 0.2M Magnesium chloride hexahydrate, 0.1M Tris pH 8.5, 30% w/v PEG 4000, |