3IFR
The crystal structure of xylulose kinase from Rhodospirillum rubrum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-30 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 129.094, 149.806, 54.944 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 64.547 - 2.300 |
| R-factor | 0.2088 |
| Rwork | 0.206 |
| R-free | 0.25970 |
| Structure solution method | SAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.656 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SOLVE |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.900 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.127 | 0.475 |
| Number of reflections | 47562 | |
| <I/σ(I)> | 10.4 | 3.5 |
| Completeness [%] | 98.5 | 94.7 |
| Redundancy | 8 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 0.05 M Potassium phosphate monobasic, 20% w/v Polyethylene glycol 8,000, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 100K |
