6IH6
Phosphite Dehydrogenase mutant I151R/P176R/M207A 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 BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-04-25 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.197, 118.872, 98.340 |
| Unit cell angles | 90.00, 90.31, 90.00 |
Refinement procedure
| Resolution | 38.672 - 2.491 |
| R-factor | 0.2022 |
| Rwork | 0.199 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.180 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.530 |
| High resolution limit [Å] | 2.490 | 2.490 |
| Rmerge | 0.100 | 0.530 |
| Number of reflections | 48679 | 6292 |
| <I/σ(I)> | 4.8 | |
| Completeness [%] | 97.3 | 93.3 |
| Redundancy | 4.5 |
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 |
