4UFN
Laboratory evolved variant R-C1B1 of potato epoxide hydrolase StEH1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-05-10 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.003, 99.140, 123.461 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 77.300 - 2.000 |
| R-factor | 0.17255 |
| Rwork | 0.171 |
| R-free | 0.21111 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cjp |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.304 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.140 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.120 | 0.570 |
| Number of reflections | 47143 | |
| <I/σ(I)> | 9 | 2.6 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.7 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 18% (W/V) PEG5K-MME 0.1 M TRIS PH 8.0 5% (V/V) 1,4-DIOXANE |
