3LL3
The crystal structure of ligand bound xylulose kinase from Lactobacillus acidophilus
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) | 0.9795 |
| Spacegroup name | P 1 |
| Unit cell lengths | 57.889, 73.056, 82.872 |
| Unit cell angles | 84.75, 86.32, 77.95 |
Refinement procedure
| Resolution | 36.138 - 2.002 |
| R-factor | 0.197 |
| Rwork | 0.196 |
| R-free | 0.22440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gbt |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.152 |
| 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 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.073 | 0.241 |
| Number of reflections | 79750 | |
| <I/σ(I)> | 7.2 | 1.63 |
| Completeness [%] | 89.6 | 77 |
| Redundancy | 1.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 0.2 M Ammonium sulfate, 0.1 M HEPEs pH 7.5, 25% w/v Polyethylene glycol, VAPOR DIFFUSION, SITTING DROP |
