4OU5
Crystal structure of esterase rPPE mutant S159A/W187H
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 95.754, 95.754, 88.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.580 - 1.990 |
R-factor | 0.1418 |
Rwork | 0.140 |
R-free | 0.17780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2yh2 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.041 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.3_1479) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.060 |
High resolution limit [Å] | 1.990 | 4.290 | 1.990 |
Rmerge | 0.122 | 0.041 | 0.883 |
Number of reflections | 28983 | ||
<I/σ(I)> | 7.8 | ||
Completeness [%] | 99.9 | 99.7 | 100 |
Redundancy | 17.8 | 17.8 | 17.2 |
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 |