4TRR
Crystal structure of a putative Putative D-beta-hydroxybutyrate dehydrogenase from Burkholderia cenocepacia J2315
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-07-12 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 103.220, 91.950, 116.560 |
| Unit cell angles | 90.00, 92.94, 90.00 |
Refinement procedure
| Resolution | 48.049 - 1.900 |
| R-factor | 0.185 |
| Rwork | 0.183 |
| R-free | 0.22230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3v2h |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.957 |
| Data reduction software | XDS (2.5.2) |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: dev_1702)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.950 | |
| High resolution limit [Å] | 1.900 | 8.500 | 1.900 |
| Rmerge | 0.080 | 0.033 | 0.545 |
| Rmeas | 0.084 | 0.035 | 0.635 |
| Total number of observations | 1483750 | ||
| Number of reflections | 168840 | 1995 | 11409 |
| <I/σ(I)> | 19.45 | 56.48 | 2.62 |
| Completeness [%] | 98.6 | 98.3 | 90.2 |
| Redundancy | 8.79 | 3.67 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290 | Microlytics MCSG1 screen F1: 20% PEG MME 5000, 100mM BisTris pH 6.5, cryo protected with 20% EG in two steps, then annealed in cryostream; BuceA.00010.z.B1.PS01812 at 26.7 mg/ml; tray 246271, puck tye 7-7 |
