3TXZ
OYE1-W116Q complexed with R-carvone
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 | 2011-09-15 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.99 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 141.362, 141.362, 42.687 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.000 - 1.700 |
| R-factor | 0.1635 |
| Rwork | 0.161 |
| R-free | 0.18580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.005 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | AMoRE |
| Refinement software | PHENIX ((phenix.refine: 1.7.2_862)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | |
| High resolution limit [Å] | 1.500 | 1.700 |
| Rmerge | 0.065 | |
| Number of reflections | 48165 | |
| <I/σ(I)> | 41 | |
| Completeness [%] | 98.0 | 99 |
| Redundancy | 9.5 |
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 |
