7BN6
Crystal structure of G. sulphuraria ene-reductase GsOYE in complex with b-angelica lactone
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-15 |
Detector | DECTRIS EIGER2 X 4M |
Wavelength(s) | 0.9677 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.703, 76.482, 86.072 |
Unit cell angles | 90.00, 93.04, 90.00 |
Refinement procedure
Resolution | 48.480 - 1.500 |
R-factor | 0.2331 |
Rwork | 0.232 |
R-free | 0.25500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6s0g |
RMSD bond length | 0.008 |
RMSD bond angle | 1.041 |
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] | 48.480 | 1.554 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.049 | 0.433 |
Number of reflections | 288040 | 27828 |
<I/σ(I)> | 10.8 | 1.83 |
Completeness [%] | 97.9 | |
Redundancy | 2.5 | |
CC(1/2) | 0.997 | 0.702 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M MgCl2 hexahydrate or 0.2 M CaCl2 dihydrate, 0.1 M MES pH 6.0, 20 % w/v PEG 6000 |