3H2Z
The crystal structure of mannitol-1-phosphate dehydrogenase from Shigella flexneri
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-06 |
| Detector | SBC-2 |
| Wavelength(s) | 0.9796 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 151.092, 151.092, 92.179 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.900 |
| R-factor | 0.17588 |
| Rwork | 0.174 |
| R-free | 0.20400 |
| Structure solution method | SAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.457 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MLPHARE |
| Refinement software | REFMAC (5.5.0054) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 47419 | |
| <I/σ(I)> | 52.9 | 3.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 17.8 | 14.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 0.1M Na Acetate, pH 5.5, 1.4M Nacitrate, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
