6S32
Crystal structure of ene-reductase CtOYE from Chroococcidiopsis thermalis.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-10 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.966 |
Spacegroup name | P 1 |
Unit cell lengths | 49.658, 78.172, 108.685 |
Unit cell angles | 104.23, 99.98, 90.04 |
Refinement procedure
Resolution | 48.860 - 1.350 |
R-factor | 0.20807 |
Rwork | 0.206 |
R-free | 0.25466 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gwj |
RMSD bond length | 0.012 |
RMSD bond angle | 2.008 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.860 | 1.390 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.086 | 0.535 |
Number of reflections | 312849 | 29361 |
<I/σ(I)> | 5.76 | 1.63 |
Completeness [%] | 90.9 | 85.78 |
Redundancy | 3.6 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.85 M sodium citrate tribasic dihydrate, 0.1 M Tris pH 8.0, 0.1 M NaCl, 0.10 mM Fos-Choline 12 |