6IH2
Crystal structure of Phosphite Dehydrogenase from Ralstonia sp. 4506
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-12-09 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 61.653, 97.849, 122.440 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.324 - 2.048 |
| R-factor | 0.164 |
| Rwork | 0.162 |
| R-free | 0.19400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4e5m |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.852 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.324 | 2.120 |
| High resolution limit [Å] | 2.048 | 2.050 |
| Rmerge | 0.130 | 0.460 |
| Number of reflections | 46894 | 4180 |
| <I/σ(I)> | 6.6 | |
| Completeness [%] | 98.8 | 89.79 |
| Redundancy | 12.3 | 12.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 8 | 289 | 0.2 M NaCl, 0.1 M Tris-HCl pH 8.0, 25% (w/v) PEG3350 |
