4R9L
Structure of a thermostable elevenfold mutant of limonene epoxide hydrolase from Rhodococcus erythropolis, containing two stabilizing disulfide bonds
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 77 |
| Detector technology | PIXEL |
| Collection date | 2013-02-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.999 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 87.688, 87.688, 108.905 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.250 - 1.800 |
| R-factor | 0.16266 |
| Rwork | 0.160 |
| R-free | 0.20677 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nww |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.019 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.250 | 44.250 | 1.900 |
| High resolution limit [Å] | 1.800 | 5.690 | 1.800 |
| Rmerge | 0.068 | 0.034 | 0.510 |
| Number of reflections | 45204 | ||
| <I/σ(I)> | 10 | 22.8 | 2.3 |
| Completeness [%] | 99.5 | 99.1 | 99.9 |
| Redundancy | 3.5 | 3.3 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.4 | 294 | 1.44 M tri-sodium citrate, 50 mM sodium tartrate dihydrate, pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
