4BAZ
Structure of a putative epoxide hydrolase Q244E 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 | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 83.740, 83.740, 140.250 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.930 - 1.350 |
| R-factor | 0.11377 |
| Rwork | 0.113 |
| R-free | 0.13472 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4b9a |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.678 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.020 | 1.420 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.080 | 0.740 |
| Number of reflections | 109570 | |
| <I/σ(I)> | 11.5 | 1.9 |
| Completeness [%] | 99.9 | 99.4 |
| Redundancy | 5.3 | 4.4 |
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 |
