4H6P
Crystal structure of a putative chromate reductase from Gluconacetobacter hansenii, Gh-ChrR, containing a R101A substitution.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-04-19 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 94.918, 287.590, 91.362 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.191 - 2.556 |
R-factor | 0.2348 |
Rwork | 0.233 |
R-free | 0.27120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3s2y |
RMSD bond length | 0.007 |
RMSD bond angle | 1.329 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.191 | 2.587 |
High resolution limit [Å] | 2.556 | 2.556 |
Number of reflections | 85635 | |
Completeness [%] | 100.0 | 89 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 1:1 mixture of protein (~12 mg/mL) in 100 mM NaCl, 20 mM TrisHCl, 1 mM DTT, pH 7 and precipatant (Emerald BioSystems) 25% w/v PEG3350, 4% isopropanol, 0.1 M HEPES (pH 7.5) 0.1 M CaCl2, VAPOR DIFFUSION, HANGING DROP, temperature 295K |