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 |
