4YIL
OYE1 W116A COMPLEXED WITH (Z)-METHYL 3-CYANO-3-(4-FLUOROPHENYL)ACRYLATE IN A NON PRODUCTIVE BINDING MODE
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 | 2014-08-30 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.95000 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 141.395, 141.395, 42.820 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.521 - 1.461 |
R-factor | 0.1654 |
Rwork | 0.165 |
R-free | 0.18850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4gbu |
RMSD bond length | 0.006 |
RMSD bond angle | 1.087 |
Data reduction software | DENZO (HKLSuite0.95) |
Data scaling software | SCALEPACK (HKLSuite0.95) |
Phasing software | PHASER (1.9-1692) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.520 | 1.491 |
High resolution limit [Å] | 1.461 | 1.461 |
Rmerge | 0.069 | 0.747 |
Number of reflections | 74409 | |
<I/σ(I)> | 32.29 | 4.38 |
Completeness [%] | 98.5 | 97.19 |
Redundancy | 14.7 | 12.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 277 | 0.2M MgCl2, 0.1M Na HEPES, 35% PEG 400, |