3CR8
Hexameric APS kinase from Thiobacillus denitrificans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-02-28 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 161.071, 227.211, 106.766 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.028 - 2.950 |
R-factor | 0.245 |
Rwork | 0.243 |
R-free | 0.28200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1i2d |
RMSD bond length | 0.014 |
RMSD bond angle | 1.867 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | EPMR |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.060 |
High resolution limit [Å] | 2.950 | 2.950 |
Rmerge | 0.107 | 0.357 |
Number of reflections | 38467 | |
<I/σ(I)> | 7.3 | |
Completeness [%] | 92.4 | 95.8 |
Redundancy | 3 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | K/Na Tartrate, NaCl, Bis Tris Propane, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |