6S23
Crystal structure of ene-reductase GsOYE from Galleria sulphuraria in complex with 2-methyl-cyclopenten-1-one
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 | 2017-05-11 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.966 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.693, 76.421, 86.334 |
| Unit cell angles | 90.00, 93.40, 90.00 |
Refinement procedure
| Resolution | 50.010 - 2.380 |
| R-factor | 0.21203 |
| Rwork | 0.210 |
| R-free | 0.25554 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6s0g |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.840 |
| 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] | 57.180 | 2.470 |
| High resolution limit [Å] | 2.380 | 2.380 |
| Number of reflections | 29511 | 3122 |
| <I/σ(I)> | 14.2 | |
| Completeness [%] | 99.4 | 99.7 |
| Redundancy | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M MgCl2 hexahydrate, 0.1 M MES pH 6.0, 20 % w/v PEG 6000 |
