5JPP
Structure of limonene epoxide hydrolase mutant - H-2-H5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-09-29 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 41 |
| Unit cell lengths | 65.402, 65.402, 72.360 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.123 - 2.500 |
| R-factor | 0.2611 |
| Rwork | 0.258 |
| R-free | 0.32720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nu3 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.137 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.440 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 8359 | |
| <I/σ(I)> | 21.3 | |
| Completeness [%] | 84.0 | |
| Redundancy | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.1 M HEPES (pH 7.5), 2% v/v Polyethylene glycol 400, 2.0 M ammonium sulfate |
