2Q1W
Crystal structure of the Bordetella bronchiseptica enzyme WbmH in complex with NAD+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-12-04 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.934 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 93.673, 158.988, 68.222 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.190 |
R-factor | 0.17866 |
Rwork | 0.176 |
R-free | 0.22679 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2pzk |
RMSD bond length | 0.016 |
RMSD bond angle | 1.513 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.250 |
High resolution limit [Å] | 2.190 | 2.200 |
Rmerge | 0.114 | 0.380 |
Number of reflections | 49975 | |
<I/σ(I)> | 15.2 | 3.63 |
Completeness [%] | 93.9 | 91.3 |
Redundancy | 5.22 | 3.58 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1 M Hepes, 10 % (v/v) isopropanol, 20 % (w/v) PEG 4000, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1 M Hepes, 10 % (v/v) isopropanol, 20 % (w/v) PEG 4000, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1 M Hepes, 10 % (v/v) isopropanol, 20 % (w/v) PEG 4000, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |