6IH4
Crystal structure of Phosphite Dehydrogenase mutant I151R/P176E 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 | 2018-01-25 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 60.560, 97.822, 61.640 |
Unit cell angles | 90.00, 102.77, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.600 |
R-factor | 0.1782 |
Rwork | 0.176 |
R-free | 0.22210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4e5m |
RMSD bond length | 0.003 |
RMSD bond angle | 0.580 |
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] | 30.060 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.220 | 0.550 |
Number of reflections | 21013 | 1767 |
<I/σ(I)> | 9.98 | |
Completeness [%] | 97.1 | |
Redundancy | 6.6 |
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 |