4B9E
Structure of a putative epoxide hydrolase from Pseudomonas aeruginosa, with bound MFA.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-05-18 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 83.920, 83.920, 140.950 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.270 - 1.400 |
| R-factor | 0.11165 |
| Rwork | 0.110 |
| R-free | 0.13525 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1y37 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.720 |
| 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] | 36.830 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.090 | 0.690 |
| Number of reflections | 99408 | |
| <I/σ(I)> | 11.5 | 2.4 |
| Completeness [%] | 99.7 | 99.3 |
| Redundancy | 6.2 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 0.1 M LI2SO4, 1.25 M (NH4)2SO4, 0.1 M TRIS HCL PH 8.5 |
