4BAU
Structure of a putative epoxide hydrolase t131d 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 | 83.860, 83.860, 140.570 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 17.570 - 1.550 |
R-factor | 0.13908 |
Rwork | 0.137 |
R-free | 0.17094 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4b9a |
RMSD bond length | 0.017 |
RMSD bond angle | 1.761 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 17.700 | 1.630 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.100 | 0.810 |
Number of reflections | 71161 | |
<I/σ(I)> | 10.7 | 1.9 |
Completeness [%] | 97.5 | 95.8 |
Redundancy | 4.9 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 0.1 M LI2SO4, 1.25M (NH4)2SO4, 0.1 M TRIS HCL PH 8.5 |