3IIE
1-deoxy-D-xylulose 5-phosphate reductoisomerase from Yersinia pestis.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 121.460, 121.460, 86.923 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.210 |
| R-factor | 0.182 |
| Rwork | 0.179 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2c82 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.757 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.5.0054) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.800 | 2.250 |
| High resolution limit [Å] | 2.210 | 2.210 |
| Rmerge | 0.082 | 0.621 |
| Number of reflections | 37344 | |
| <I/σ(I)> | 34.2 | 2 |
| Completeness [%] | 99.9 | 98.4 |
| Redundancy | 9.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.16 M magnesium chloride, 0.08 M Tris-HCl buffer, 24% PEG-4000, 20% glycerol, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
