1RKX
Crystal Structure at 1.8 Angstrom of CDP-D-glucose 4,6-dehydratase from Yersinia pseudotuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 113 |
| Detector technology | CCD |
| Collection date | 1999-03-05 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0704 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 99.900, 115.870, 126.830 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.250 - 1.800 |
| R-factor | 0.229 |
| Rwork | 0.229 |
| R-free | 0.26600 |
| Structure solution method | MAD + MIR |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 133360 | |
| <I/σ(I)> | 18.4 | 2.6 |
| Completeness [%] | 97.7 | 93.4 |
| Redundancy | 5.8 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | ammonium sulfate, PEG 4000, potassium HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
