2Q5R
Structure of apo Staphylococcus aureus D-tagatose-6-phosphate kinase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-02-04 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 76.952, 96.940, 94.485 |
| Unit cell angles | 90.00, 94.42, 90.00 |
Refinement procedure
| Resolution | 14.990 - 2.300 |
| R-factor | 0.218 |
| Rwork | 0.215 |
| R-free | 0.28300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2f02 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.190 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.078 | 0.158 |
| Number of reflections | 55270 | |
| <I/σ(I)> | 15.5 | 5.4 |
| Completeness [%] | 90.1 | 93.5 |
| Redundancy | 2.7 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 25% PEG3350, 0.2M sodium thiocyanate, frozen in paratone, VAPOR DIFFUSION, SITTING DROP, temperature 100K, temperature 298K |
