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 |
