3W95
Crystal structure of 2A proteinase (C110A) from enterovirus 71
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-03-12 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 92.524, 92.524, 36.127 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.259 - 1.850 |
R-factor | 0.2189 |
Rwork | 0.217 |
R-free | 0.24940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hrv |
RMSD bond length | 0.007 |
RMSD bond angle | 1.010 |
Data reduction software | CrystalClear |
Data scaling software | CrystalClear |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.260 | 1.920 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.070 | 0.279 |
Number of reflections | 13786 | |
<I/σ(I)> | 17.6 | |
Completeness [%] | 99.0 | 90.2 |
Redundancy | 9.77 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.1 | 295 | 0.2M Magnesium chloride, 0.1M Tris-Hcl, 1%(v/v) PEG4000, pH 8.1, VAPOR DIFFUSION, HANGING DROP, temperature 295K |