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 |