6IH5
Crystal structure of Phosphite Dehydrogenase mutant I151R/P176E from Ralstonia sp. 4506 in complex with non-natural cofactor Nicotinamide Cytosine dinucleotide
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 | 2018-01-15 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.662, 98.523, 62.007 |
| Unit cell angles | 90.00, 102.35, 90.00 |
Refinement procedure
| Resolution | 38.218 - 2.468 |
| R-factor | 0.1979 |
| Rwork | 0.195 |
| R-free | 0.25540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.949 |
| 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] | 38.218 | 2.560 |
| High resolution limit [Å] | 2.468 | 2.470 |
| Rmerge | 0.130 | 0.500 |
| Number of reflections | 25158 | 2432 |
| <I/σ(I)> | 13.22 | |
| Completeness [%] | 99.4 | 96.97 |
| Redundancy | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 289 | 0.2 M NaCl, 0.1 M Tris-HCl pH 8.0, 25% (w/v) PEG3350 |
