7BN7
Crystal structure of ene-reductase OYE2 from S. cerevisiae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-06 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.966 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 105.286, 131.975, 138.003 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.190 - 2.450 |
R-factor | 0.1908 |
Rwork | 0.189 |
R-free | 0.22590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1oya |
RMSD bond length | 0.012 |
RMSD bond angle | 1.542 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.190 | 2.538 |
High resolution limit [Å] | 2.450 | 2.450 |
Rmerge | 0.096 | 0.765 |
Total number of observations | 394986 | |
Number of reflections | 26082 | |
<I/σ(I)> | 12.1 | 2.3 |
Completeness [%] | 99.8 | |
Redundancy | 5.5 | |
CC(1/2) | 0.996 | 0.738 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 8 % w/v PEG 20,000/ 0.1 M Sodium acetate pH 4.5 0.25 M Potassium bromide 8 % v/v PEG 550 MME |