4DGS
The crystals structure of dehydrogenase from Rhizobium meliloti
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 | 2012-01-23 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9792 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 79.657, 71.155, 55.148 |
Unit cell angles | 90.00, 96.39, 90.00 |
Refinement procedure
Resolution | 39.581 - 2.500 |
R-factor | 0.2569 |
Rwork | 0.255 |
R-free | 0.28420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2dbq |
RMSD bond length | 0.008 |
RMSD bond angle | 1.226 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.400 |
High resolution limit [Å] | 2.300 | 2.320 |
Rmerge | 0.098 | 0.448 |
Number of reflections | 12548 | |
<I/σ(I)> | 12.2 | 1.9 |
Completeness [%] | 95.4 | 69 |
Redundancy | 3.6 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 0.2 M Calcium acetate, 0.1 M Sodium cacodylate trihydrate pH 6.5, 18% w/v PEG8000, VAPOR DIFFUSION, SITTING DROP, temperature 291K |