5UNL
Crystal structure of a D-beta-hydroxybutyrate dehydrogenase from Burkholderia multivorans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-06-22 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 64.380, 132.090, 64.530 |
Unit cell angles | 90.00, 108.68, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.650 |
R-factor | 0.1757 |
Rwork | 0.175 |
R-free | 0.20770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4nbv |
RMSD bond length | 0.006 |
RMSD bond angle | 0.811 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 44.862 | 1.690 |
High resolution limit [Å] | 1.650 | 7.380 | 1.650 |
Rmerge | 0.064 | 0.034 | 0.497 |
Rmeas | 0.074 | 0.039 | 0.570 |
Number of reflections | 121380 | 1393 | 8916 |
<I/σ(I)> | 13.99 | 30.85 | 2.83 |
Completeness [%] | 99.1 | 98 | 98.8 |
Redundancy | 4.17 | 3.837 | 4.202 |
CC(1/2) | 0.998 | 0.998 | 0.827 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | JCSG+ A12 (272912a12): 20% w/v PEG3350, 200mM Potassium nitrate: protein conc 18mg/mL: 20% eg: icw9-5 |