4UHB
Laboratory evolved variant R-C1 of potato epoxide hydrolase StEH1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-28 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.800, 96.330, 121.780 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.830 - 1.800 |
| R-factor | 0.19926 |
| Rwork | 0.199 |
| R-free | 0.21090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cjp |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.650 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.800 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.170 | 0.830 |
| Number of reflections | 61576 | |
| <I/σ(I)> | 6.6 | 2 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 6.8 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | PROTEIN IN 30 MM TRIS-HCL, PH 7.4 MIXED 1:1 WITH 0.1 M HEPES PH 7.5, 20 % PEG 10,000. THEN SOAKED IN25% (V/V) GLYCEROL, 75 MM HEPES, PH7.68, PEG 10,000 22.5 % (W/V) |
