3TXV
Crystal structure of a probable tagatose 6 phosphate kinase from Sinorhizobium meliloti 1021
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 | 2011-09-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 140.005, 140.005, 97.356 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.680 - 2.800 |
| R-factor | 0.24298 |
| Rwork | 0.240 |
| R-free | 0.29267 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fiq |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.636 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.170 | 0.540 |
| Number of reflections | 14349 | |
| <I/σ(I)> | 4.2 | 4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 35 | 34.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.2M CaCl2, 0.1M Hepes pH 7.5, 28% PEG400, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
