3EGO
Crystal structure of Probable 2-dehydropantoate 2-reductase panE from Bacillus Subtilis
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 | 2008-07-10 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 160.860, 43.658, 83.757 |
| Unit cell angles | 90.00, 98.26, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.900 |
| R-factor | 0.207 |
| Rwork | 0.204 |
| R-free | 0.26000 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.398 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXCD |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.066 | 0.572 |
| Number of reflections | 45902 | |
| <I/σ(I)> | 34.48 | 3.36 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 7.4 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 20% PEG 3k, 0.1M Tris HCl pH 7.0, 0.2M Calcium Acetate monohydrate, Vapor diffusion, Sitting drop, temperature 298K |
