3WMD
Crystal structure of epoxide hydrolase MonBI
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-04 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 1.000, 0.9300, 0.9797 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 38.784, 56.610, 106.973 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.398 - 1.999 |
| R-factor | 0.2194 |
| Rwork | 0.217 |
| R-free | 0.26480 |
| Structure solution method | MAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.123 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 1.999 | 2.000 |
| Rmerge | 0.080 | 0.340 |
| Number of reflections | 16242 | |
| <I/σ(I)> | 39 | 5.2 |
| Completeness [%] | 97.9 | 83.9 |
| Redundancy | 6.8 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 293 | 0.1M potassium phosphate, 20%(v/v) PEG6000, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
