3E8X
Putative NAD-dependent epimerase/dehydratase from Bacillus halodurans.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-08-07 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 113.687, 113.687, 63.645 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.100 |
| R-factor | 0.173 |
| Rwork | 0.172 |
| R-free | 0.19300 |
| Structure solution method | SAD |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.705 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.089 | 0.848 |
| Number of reflections | 24007 | |
| <I/σ(I)> | 51.6 | 2.42 |
| Completeness [%] | 95.7 | 73.7 |
| Redundancy | 15 | 11.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 294 | 40% PEG-300, 0.1 M phosphate-citrate buffer, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
