3PLR
Crystal structure of Klebsiella pneumoniae UDP-glucose 6-dehydrogenase complexed with NADH and UDP-glucose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-05-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 108.095, 63.553, 78.567 |
| Unit cell angles | 90.00, 114.16, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.700 |
| R-factor | 0.1666 |
| Rwork | 0.165 |
| R-free | 0.19790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pln |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.870 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.063 | 0.456 |
| Number of reflections | 53413 | |
| <I/σ(I)> | 26.5 | 3.4 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 5.7 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 283 | 0.1M Tris-HCl buffer (pH 8.0), 0.8M sodium formate, 19-25 % (w/v) PEG 2000 monomethyl ether, 2mM UPG, 5mM NADH, VAPOR DIFFUSION, SITTING DROP, temperature 283K |
