2QYT
Crystal structure of 2-dehydropantoate 2-reductase from Porphyromonas gingivalis W83
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-02 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97925, 0.97938 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 79.577, 79.577, 98.260 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.810 - 2.150 |
| R-factor | 0.19839 |
| Rwork | 0.195 |
| R-free | 0.26479 |
| Structure solution method | MAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.748 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MLPHARE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.000 | 2.200 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.132 | 0.475 |
| Number of reflections | 16966 | |
| <I/σ(I)> | 14.5 | 1.8 |
| Completeness [%] | 95.3 | 67.4 |
| Redundancy | 6.2 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.2M Ammonium sulfate, 0.1M MES, 30% PEG MME5000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
