5C1X
Crystal structure of EV71 3C Proteinase in complex with Compound VIII
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-01-12 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 64.948, 64.084, 76.489 |
Unit cell angles | 90.00, 91.11, 90.00 |
Refinement procedure
Resolution | 45.650 - 1.860 |
R-factor | 0.197 |
Rwork | 0.196 |
R-free | 0.22500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ghq |
RMSD bond length | 0.017 |
RMSD bond angle | 1.752 |
Data reduction software | AUTOMAR |
Data scaling software | AUTOMAR |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.920 |
High resolution limit [Å] | 1.860 | 1.860 |
Rmerge | 0.041 | 0.269 |
Number of reflections | 25588 | |
<I/σ(I)> | 9.9 | 1.9 |
Completeness [%] | 96.0 | 86.6 |
Redundancy | 2.28 | 2.01 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 289 | 100MM TRIS, 25% PEG4000, 0.8M LITHIUM CHLORIDE |