4B9A
Structure of a putative epoxide hydrolase from Pseudomonas aeruginosa.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-06-17 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 83.910, 83.910, 140.730 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.450 - 1.450 |
R-factor | 0.11199 |
Rwork | 0.111 |
R-free | 0.13771 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1y37 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.758 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 72.080 | 1.530 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.100 | 0.800 |
Number of reflections | 89489 | |
<I/σ(I)> | 14 | 2.3 |
Completeness [%] | 100.0 | 99.8 |
Redundancy | 7.6 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 0.1 M LISO4, 1.25 M (NH4)2SO4, 0.1M TRIS HCL, PH 8.5 |