3LXY
Crystal structure of 4-hydroxythreonine-4-phosphate dehydrogenase from Yersinia pestis CO92
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 | 2010-02-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9794 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 75.939, 88.105, 100.511 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.520 - 1.700 |
| R-factor | 0.19421 |
| Rwork | 0.192 |
| R-free | 0.24794 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r8k |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.875 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.520 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.075 | 0.610 |
| Number of reflections | 36631 | |
| <I/σ(I)> | 18 | 2 |
| Completeness [%] | 97.8 | 83 |
| Redundancy | 4.3 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 1 M Ammonium sulfate, 0.1 M Bis-Tris, 1% PEG 3350, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
