4OB7
Crystal structure of esterase rPPE mutant W187H
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-07-11 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 95.372, 95.372, 88.337 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.962 - 1.650 |
R-factor | 0.1571 |
Rwork | 0.156 |
R-free | 0.17250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2yh2 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.060 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.962 | 50.000 | 1.710 |
High resolution limit [Å] | 1.650 | 3.550 | 1.650 |
Rmerge | 0.066 | 0.037 | 0.496 |
Number of reflections | 49350 | ||
<I/σ(I)> | 16.9 | ||
Completeness [%] | 99.5 | 99.9 | 97.6 |
Redundancy | 15.4 | 15.9 | 11.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.1M Hepes/Mops-Na, pH 7.5, 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD, 0.03M MgCl2, 0.03M CaCl2, VAPOR DIFFUSION, SITTING DROP, temperature 291K |