3JUL
Crystal structure of Listeria innocua D-Tagatose-6-Phosphate Kinase bound with substrate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-08-16 |
Detector | ADSC QUANTUM 210 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 84.307, 44.240, 79.116 |
Unit cell angles | 90.00, 104.65, 90.00 |
Refinement procedure
Resolution | 40.780 - 2.400 |
R-factor | 0.226 |
Rwork | 0.226 |
R-free | 0.26700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hic |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 14658 | |
<I/σ(I)> | 7.9 | 5.3 |
Completeness [%] | 99.1 | 94.3 |
Redundancy | 6.4 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 298 | 25% PEG 3350, 0.2M MgCl2, 0.1M Tris pH 8.5, 8mM Fructose-6-Phosphate, VAPOR DIFFUSION, SITTING DROP, temperature 298K |