6IH3
Crystal structure of Phosphite Dehydrogenase 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 | 2017-12-24 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.9793 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 97.770, 122.584, 61.662 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.408 - 1.942 |
R-factor | 0.1687 |
Rwork | 0.167 |
R-free | 0.20180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4e5m |
RMSD bond length | 0.007 |
RMSD bond angle | 0.889 |
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] | 45.410 | 2.010 |
High resolution limit [Å] | 1.940 | 1.940 |
Rmerge | 0.130 | 0.560 |
Number of reflections | 55297 | 5308 |
<I/σ(I)> | 15.05 | |
Completeness [%] | 99.7 | |
Redundancy | 12.7 |
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) PEG 3350 |