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 |
