3G17
Structure of putative 2-dehydropantoate 2-reductase from staphylococcus aureus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-04 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 |
| Unit cell lengths | 75.239, 99.640, 100.261 |
| Unit cell angles | 103.66, 105.23, 102.26 |
Refinement procedure
| Resolution | 50.000 - 2.300 |
| R-factor | 0.203 |
| Rwork | 0.200 |
| R-free | 0.26000 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.353 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
| Rmerge | 0.104 | 0.064 | 0.587 |
| Number of reflections | 113899 | ||
| <I/σ(I)> | 16.202 | ||
| Completeness [%] | 98.6 | 99.6 | 97.8 |
| Redundancy | 5 | 5.1 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.1M Bis-tris pH 6.5, 10% PEG 10K, 0.2M 0.1M Ammonium Acetate, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
