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 |