5WJS
Crystal structure of oxidoreductase (short chain dehydrogenase/reductase family) from Burkholderia thailandensis complexed with NADH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-01-11 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 123.030, 123.030, 86.680 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.453 - 2.150 |
R-factor | 0.1624 |
Rwork | 0.160 |
R-free | 0.19990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4lvu |
RMSD bond length | 0.007 |
RMSD bond angle | 0.848 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.7.18) |
Refinement software | PHENIX ((1.12rc1_2807)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.453 | 46.453 | 2.210 |
High resolution limit [Å] | 2.150 | 9.620 | 2.150 |
Rmerge | 0.084 | 0.030 | 0.527 |
Rmeas | 0.090 | 0.032 | 0.572 |
Number of reflections | 36735 | 492 | 2657 |
<I/σ(I)> | 15.86 | 39.87 | 3.71 |
Completeness [%] | 99.9 | 98 | 99.8 |
Redundancy | 8.244 | 7.234 | 6.662 |
CC(1/2) | 0.999 | 0.999 | 0.885 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 290 | ButhA.00010.g.B1.PS01774 @ 20.96 mg/mL with 4mM NAD incubated at 16C; 28599c10 = JCSG+ C10: 0.1 M BICINE, pH 9.0, 10 % w/v PEG 20,000, 2 % v/v 1,4-Dioxane: Cryo = 25% EG: puck zvu9-7 |