5KF0
Crystal structure of an Aldedhyde dehydrogenase from Burkholderia vietnamiensis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-03-31 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97856 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 83.640, 145.080, 170.030 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.700 |
R-factor | 0.1344 |
Rwork | 0.134 |
R-free | 0.15700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qqa |
RMSD bond length | 0.006 |
RMSD bond angle | 0.892 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (dev_2429) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.740 |
High resolution limit [Å] | 1.700 | 7.600 | 1.700 |
Rmerge | 0.069 | 0.034 | 0.467 |
Number of reflections | 226739 | ||
<I/σ(I)> | 20.3 | 45.45 | 4.26 |
Completeness [%] | 100.0 | 99.1 | 100 |
Redundancy | 8.3 | ||
CC(1/2) | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 290 | RigakuReagents JCSG+ screen, H5: 45% MPD, 200mM Ammonium acetate, 100mM BisTris/HCl pH 5.5; BuviA.00020.o.B1.PS37818 at 18.55mg/ml + 2mM NADP; cryo: direct; tray 269827h5, puck ehj6-1 |