5A3J
Crystal structure of the chloroplastic gamma-ketol reductase from Arabidopsis thaliana bound to 13-Oxo-9(Z),11(E),15(Z)- octadecatrienoic acid.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-15 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 1 |
| Unit cell lengths | 82.870, 121.010, 122.940 |
| Unit cell angles | 66.73, 79.10, 79.99 |
Refinement procedure
| Resolution | 40.208 - 2.776 |
| R-factor | 0.2031 |
| Rwork | 0.200 |
| R-free | 0.25750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tqh |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.286 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.210 | 2.940 |
| High resolution limit [Å] | 2.780 | 2.780 |
| Rmerge | 0.140 | 0.750 |
| Number of reflections | 102756 | |
| <I/σ(I)> | 6.08 | 1.11 |
| Completeness [%] | 94.8 | 87 |
| Redundancy | 1.82 | 1.78 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.2 M AMMONIUM TARTRATE PH 7.2, 20% PEG3350 |
