4BAT
Structure of a putative epoxide hydrolase t131d mutant from Pseudomonas aeruginosa.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-03 |
| Detector | MARRESEARCH |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 83.880, 83.880, 140.720 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.370 - 1.300 |
| R-factor | 0.12269 |
| Rwork | 0.122 |
| R-free | 0.14268 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4b9a |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.659 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.060 | 1.370 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.130 | 0.950 |
| Number of reflections | 123442 | |
| <I/σ(I)> | 10.8 | 2.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.7 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 0.1 M LI2SO4, 1.25 M (NH4)2SO4, 0.1 M TRISCL PH 8.5 |
