4K8E
OYE1-W116V complexed with the aromatic product of (R)-carvone dismutation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-08-15 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.88560 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 141.135, 141.135, 42.850 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.204 - 1.269 |
| R-factor | 0.1086 |
| Rwork | 0.107 |
| R-free | 0.12670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.294 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.209 | 1.320 |
| High resolution limit [Å] | 1.269 | 1.270 |
| Rmerge | 0.069 | 0.547 |
| Number of reflections | 113545 | |
| <I/σ(I)> | 32.59 | 2.47 |
| Completeness [%] | 99.5 | 98.8 |
| Redundancy | 9.9 | 9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 277 | 0.2M MgCl2, 0.1M HEPES, 30-40% PEG400, pH 8.3 , VAPOR DIFFUSION, HANGING DROP, temperature 277K |
