3Q2K
Crystal structure of the WlbA dehydrogenase from Bordetella pertussis in complex with NADH and UDP-GlcNAcA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-11-14 |
Detector | ADSC QUANTUM 210 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 102.261, 319.975, 103.800 |
Unit cell angles | 90.00, 119.07, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.130 |
R-factor | 0.18714 |
Rwork | 0.183 |
R-free | 0.26913 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3q2i |
RMSD bond length | 0.005 |
RMSD bond angle | 2.326 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.170 |
High resolution limit [Å] | 2.130 | 2.130 |
Rmerge | 0.061 | 0.161 |
Number of reflections | 297970 | |
<I/σ(I)> | 27.8 | 3.9 |
Completeness [%] | 92.7 | 75.5 |
Redundancy | 3.8 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | 14-18% PEG5000, 200 mM NaCl, 100 mM HEPPS, 10 mM UDP-GlcNAcA, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |