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 |