4BB0
Structure of a putative epoxide hydrolase Q244E mutant from Pseudomonas aeruginosa, with bound MFA.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-3 |
Synchrotron site | MAX II |
Beamline | I911-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-03-29 |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 83.242, 83.242, 140.541 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.160 - 1.770 |
R-factor | 0.15418 |
Rwork | 0.151 |
R-free | 0.21522 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4b9a |
RMSD bond length | 0.019 |
RMSD bond angle | 1.782 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.150 | 1.870 |
High resolution limit [Å] | 1.770 | 1.770 |
Rmerge | 0.080 | 0.700 |
Number of reflections | 48281 | |
<I/σ(I)> | 10.4 | 1.8 |
Completeness [%] | 98.9 | 99.6 |
Redundancy | 3.6 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 0.1 M LI2 SO4, 1.25 M (NH4)2SO4, 0.1 M TRIS HCL PH 8.5 |