4H4I
OYE1-W116V complexed with the dismutation product of (S)-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 | 2011-08-15 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 141.004, 141.004, 42.818 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.552 - 1.250 |
| R-factor | 0.1257 |
| Rwork | 0.123 |
| R-free | 0.14590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rnd |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.467 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.600 | 1.290 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.080 | 0.916 |
| Number of reflections | 119164 | |
| <I/σ(I)> | 19.58 | 3.07 |
| Completeness [%] | 100.0 | 99.95 |
| Redundancy | 10.2 | 9.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 277 | 0.2M MgCl2, 35%PEG400, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
