5THK
Crystal Structure of a Putative Dehydrogenase from Burkholderia cenocepacia with bound NADP
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 | 2016-07-05 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 75.540, 102.440, 122.250 |
Unit cell angles | 90.00, 97.28, 90.00 |
Refinement procedure
Resolution | 45.192 - 1.400 |
R-factor | 0.1399 |
Rwork | 0.140 |
R-free | 0.16410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3u5t |
RMSD bond length | 0.005 |
RMSD bond angle | 0.846 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX ((dev_2499)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 1.440 | ||
High resolution limit [Å] | 1.400 | 6.260 | 1.400 |
Rmerge | 0.062 | 0.024 | 0.560 |
Number of reflections | 358521 | ||
<I/σ(I)> | 14.28 | 42.08 | 2.38 |
Completeness [%] | 99.1 | 97.9 | 98.7 |
Redundancy | 3.8 | ||
CC(1/2) | 0.999 | 0.999 | 0.769 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | BuceA.00010.k.B1.PW37237 @22.1 mg/ml, incubated with 4mM NADP, mixed 1:1 with an equal volume MCSG1(e3): 30% (v/v) PEG 550 MME, 0.1 M HEPES/NaOH, pH=7.5, 0.05 M MgCl2 |