4X54
Crystal structure of an oxidoreductase (short chain dehydrogenase/reductase) from Brucella ovis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-11-12 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.97872 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 53.190, 100.880, 101.410 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.760 - 1.450 |
| R-factor | 0.1558 |
| Rwork | 0.155 |
| R-free | 0.17300 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.629 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: dev_1839)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.760 | 1.490 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.038 | 0.575 |
| Number of reflections | 48379 | |
| <I/σ(I)> | 18.1 | 2.1 |
| Completeness [%] | 99.3 | 99.7 |
| Redundancy | 3.3 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | JSCG+h5 45% MPD, 0.2M Ammonium Acetate, 0.1M Bis-Tris |
