3L0Q
The crystal structure of xlylulose kinase from Yersinia pseudotuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2009-11-11 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.876, 110.005, 80.532 |
| Unit cell angles | 90.00, 99.71, 90.00 |
Refinement procedure
| Resolution | 40.846 - 1.610 |
| R-factor | 0.193 |
| Rwork | 0.192 |
| R-free | 0.22220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gg4 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.655 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.670 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.073 | 0.686 |
| Number of reflections | 126606 | |
| <I/σ(I)> | 9.6 | 1.1 |
| Completeness [%] | 92.3 | 90 |
| Redundancy | 1.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.2 M Magnesium chloride, 0.1 M HEPES pH 7.5, 25% w/v PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
