2ITM
Crystal structure of the E. coli xylulose kinase complexed with xylulose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2004-05-09 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.883, 112.605, 143.073 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.850 - 2.100 |
R-factor | 0.204 |
Rwork | 0.201 |
R-free | 0.26300 |
Structure solution method | MIR |
RMSD bond length | 0.014 |
RMSD bond angle | 1.332 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.850 | 30.000 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 58656 | |
Completeness [%] | 96.4 | 89.88 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | 298 | Drops containing equal volume of 26 mg/ml protein solution and precipitant solution comprising of 1.5 M ammonium sulfate, 50 mM sodium citrate, 1% w/v t-butanol, suspended over a 1 ml reservoir containing the precipitant solution, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 6.00 |