3Q2I
Crystal structure of the WlbA dehydrognase from Chromobactrium violaceum in complex with NADH and UDP-GlcNAcA at 1.50 A resolution
Experimental procedure
| Experimental method | MAD |
| 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 |
| Wavelength(s) | 0.97918,0.97953,0.97150 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 106.711, 106.711, 143.356 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.500 |
| R-factor | 0.20263 |
| Rwork | 0.201 |
| R-free | 0.23588 |
| Structure solution method | MAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.273 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.059 | 0.283 |
| Number of reflections | 63793 | |
| <I/σ(I)> | 47.4 | 2.2 |
| Completeness [%] | 96.9 | 87.1 |
| Redundancy | 9 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | 15-19% PEG5000, 200 mM LiCl, 100 mM HEPPS, 10 mM UDP-GlcNAcA, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
