5U2W
Crystal structure of a Short chain dehydrogenase from Burkholderia cenocepacia J2315 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 | 2016-11-24 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 136.970, 72.370, 100.530 |
Unit cell angles | 90.00, 100.88, 90.00 |
Refinement procedure
Resolution | 43.945 - 1.550 |
R-factor | 0.1373 |
Rwork | 0.137 |
R-free | 0.16320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3v2g via Balbes |
RMSD bond length | 0.008 |
RMSD bond angle | 1.017 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX ((dev_2597)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.945 | 43.945 | 1.590 |
High resolution limit [Å] | 1.550 | 6.930 | 1.550 |
Rmerge | 0.047 | 0.022 | 0.390 |
Number of reflections | 137073 | ||
<I/σ(I)> | 38.65 | 139.72 | 6.01 |
Completeness [%] | 98.0 | 99.3 | 90.4 |
Redundancy | 14.301 | 27.922 | 8.309 |
CC(1/2) | 1.000 | 0.999 | 0.911 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290 | Molecular Dimensions Morpheus screen G2: 10% w/v PEG 8000, 20% v/v ethylene glycol: 20mM of each sodium formate, ammonium acetate, trisodium citrate, sodium potassium L-tartrate, sodium oxamate: 100mM MES/imidazole pH 6.5: BuceA.00010.g.B1.PW37236 at 20.78mg/ml + 4mM NADP: cryo: direct: tray 285571g2, puck yrq2-3 |