4WEO
Crystal Structure of a Putative acetoin(Diacetyl) Reductase Burkholderia cenocepacia
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-08-21 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.976240 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 155.710, 85.490, 76.520 |
| Unit cell angles | 90.00, 92.27, 90.00 |
Refinement procedure
| Resolution | 37.460 - 1.850 |
| R-factor | 0.156 |
| Rwork | 0.154 |
| R-free | 0.19000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2uvd |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.961 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | BALBES |
| Refinement software | PHENIX ((PHENIX.REFINE: DEV_1769)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.900 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.082 | 0.563 |
| Number of reflections | 84056 | |
| <I/σ(I)> | 13.57 | 2.92 |
| Completeness [%] | 98.3 | 97.5 |
| Redundancy | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 290 | JCSG+(B8): 10% PEG-8000, 0.1M Tris base/HCl, pH=7.0, 0.2M MgCl2, cryo protected with 25% EG; BuceA.00010.q.B1.PS01731 at 19.4 mg/ml, tray 24028 |
