3CXU
Structure of a Y149F mutant of epoxide hydrolase from Solanum tuberosum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-06 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0723 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.969, 96.749, 122.215 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.976 - 2.000 |
| R-factor | 0.17 |
| Rwork | 0.169 |
| R-free | 0.20300 |
| Starting model (for MR) | 2cjp |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.030 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (refmac_5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.097 | 0.156 |
| Number of reflections | 45424 | |
| <I/σ(I)> | 11.1 | 8 |
| Completeness [%] | 99.6 | 99.5 |
| Redundancy | 4 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 25% PEG 10000, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
