6S31
Crystal structure of ene-reductase GsOYE from Galdieria sulphuraria in complex with 4-Hydroxybenzaldehyde
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-05-11 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.966 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 57.048, 76.293, 88.120 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.679 - 1.630 |
R-factor | 0.1743 |
Rwork | 0.173 |
R-free | 0.20340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2SOG |
RMSD bond length | 0.007 |
RMSD bond angle | 0.949 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.700 | 1.690 |
High resolution limit [Å] | 1.630 | 1.630 |
Rmerge | 0.210 | 0.460 |
Number of reflections | 48778 | 4758 |
<I/σ(I)> | 9 | 4.9 |
Completeness [%] | 99.7 | 99.12 |
Redundancy | 6.2 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M CaCl2 dihydrate, 0.1 M MES pH 6.0, 20 % w/v PEG 6000 |