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 |
