3GRK
Crystal structure of short chain dehydrogenase reductase SDR glucose-ribitol dehydrogenase from Brucella melitensis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-02 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.100, 120.100, 137.700 |
| Unit cell angles | 90.00, 99.20, 90.00 |
Refinement procedure
| Resolution | 19.810 - 2.350 |
| R-factor | 0.209 |
| Rwork | 0.206 |
| R-free | 0.26900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.113 |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.410 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.074 | 0.364 |
| Number of reflections | 84019 | 5125 |
| <I/σ(I)> | 14.3 | 3.6 |
| Completeness [%] | 95.1 | 79.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | PACT Premier screen condition C11, 20% PEG 6000, 0.2 M CaCl2, 0.1 M HEPES NaOH pH 7.0, 47.3 mg/mL protein, crystal ID 200296c11, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
