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 |