3EMK
2.5A crystal structure of glucose/ribitol dehydrogenase from brucella melitensis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-01-01 |
| Detector | SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 99.489, 147.939, 63.892 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.500 |
| R-factor | 0.20407 |
| Rwork | 0.201 |
| R-free | 0.26780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.425 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 5.380 | 2.500 |
| Rmerge | 0.133 | 0.064 | 0.571 |
| Number of reflections | 31770 | ||
| <I/σ(I)> | 8.978 | ||
| Completeness [%] | 94.8 | 97.1 | 95.8 |
| Redundancy | 3.4 | 4.3 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 289 | 20% PEG 3350, 0.15M DL MALIC ACID, pH 7.0, VAPOR DIFFUSION, temperature 289K |
