4OB8
Crystal structure of a novel thermostable esterase from Pseudomonas putida ECU1011
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 | 2013-08-17 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 95.633, 95.633, 87.806 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.768 - 1.801 |
R-factor | 0.1505 |
Rwork | 0.149 |
R-free | 0.18230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2yh2 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.074 |
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] | 42.800 | 50.000 | 1.860 |
High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
Rmerge | 0.092 | 0.067 | 0.410 |
Number of reflections | 38145 | ||
<I/σ(I)> | 19 | ||
Completeness [%] | 99.6 | 98 | 100 |
Redundancy | 25.5 | 24.6 | 25.6 |
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 |