4GBU
OYE1-W116A in complex with aromatic product of S-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) | 0.9795 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 141.121, 141.121, 42.813 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.037 - 1.179 |
| R-factor | 0.102 |
| Rwork | 0.100 |
| R-free | 0.12100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rnd |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.475 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.000 | 1.220 |
| High resolution limit [Å] | 1.180 | 1.180 |
| Rmerge | 0.076 | 0.554 |
| Number of reflections | 999641 | |
| <I/σ(I)> | 25.2 | 2.04 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 7.1 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 277 | 35% Peg400, 0.2M MgCl2, 0.1M Na Hepes, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
