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 |