4R9K
Structure of thermostable eightfold mutant of limonene epoxide hydrolase from Rhodococcus erythropolis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 77 |
| Detector technology | PIXEL |
| Collection date | 2012-07-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 88.049, 88.049, 110.241 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.000 - 1.500 |
| R-factor | 0.14261 |
| Rwork | 0.141 |
| R-free | 0.16476 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nww |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.275 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 76.253 | 44.670 | 1.530 |
| High resolution limit [Å] | 1.450 | 4.590 | 1.450 |
| Rmerge | 0.073 | 0.027 | 0.902 |
| Number of reflections | 87794 | ||
| <I/σ(I)> | 18 | 55.4 | 2.9 |
| Completeness [%] | 99.9 | 99.9 | 99.6 |
| Redundancy | 9.9 | 9.5 | 10 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.4 | 294 | 1.44 M tri-sodium citrate, pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
