5IDW
Crystal structure of an oxidoreductase from Burkholderia vietnamiensis in complex with NADP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-02-19 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.810, 49.230, 66.960 |
Unit cell angles | 90.00, 94.99, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.000 |
R-factor | 0.1849 |
Rwork | 0.181 |
R-free | 0.23700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5idq |
RMSD bond length | 0.007 |
RMSD bond angle | 0.825 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | PHENIX (dev_2313) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.050 | |
High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
Rmerge | 0.110 | 0.042 | 0.346 |
Number of reflections | 27131 | ||
<I/σ(I)> | 8.59 | 24.8 | 2.63 |
Completeness [%] | 99.0 | 95.3 | 97.1 |
Redundancy | 3.23 | 2.13 | |
CC(1/2) | 0.993 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 290 | MCSG1 D10 (269027d10): 0.2 M Calcium Acetate 0.1 M Sodium Cacodylate:HCl pH 6.5 40% (v/v ) PEG 300; protein conc. 20.9mg/mL; 5mM NADP soak; direct cryo; puck foe9-7 |