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 |