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 |
