4UFP
Laboratory evolved variant R-C1B1D33 of potato epoxide hydrolase StEH1
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 | 2013-11-14 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.743, 97.105, 121.799 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 75.900 - 2.950 |
| R-factor | 0.17322 |
| Rwork | 0.170 |
| R-free | 0.23658 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cjp |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.350 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.900 | 3.130 |
| High resolution limit [Å] | 2.950 | 2.950 |
| Rmerge | 0.160 | 0.830 |
| Number of reflections | 13146 | |
| <I/σ(I)> | 10.2 | 0.4 |
| Completeness [%] | 91.9 | 93.2 |
| Redundancy | 5.9 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9 | 10% (W/V) PEG10K, 0.1 M BICINE PH 9.0 |
