4J2O
Crystal structure of NADP-bound WbjB from A. baumannii community strain D1279779
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-07-05 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 107.930, 114.540, 215.150 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.864 - 2.653 |
R-factor | 0.1615 |
Rwork | 0.160 |
R-free | 0.20170 |
Structure solution method | Molecular replacement and SAD |
Starting model (for MR) | 2gn4 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.301 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | CCP4 |
Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 24.864 |
High resolution limit [Å] | 2.640 |
Rmerge | 0.103 |
Number of reflections | 77374 |
<I/σ(I)> | 13.4 |
Completeness [%] | 98.9 |
Redundancy | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 295 | 0.2 M NaCl, 0.1 M Sodium citrate tribasic dihydrate (pH 5.6), 25%(v/v) PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 295 | 0.2 M NaCl, 0.1 M Sodium citrate tribasic dihydrate (pH 5.6), 25%(v/v) PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 295K |