3W8L
Crystal structure of human CK2 in complex with inositol hexakisphosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | OTHER |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-11-03 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 70.141, 56.568, 95.542 |
Unit cell angles | 90.00, 96.14, 90.00 |
Refinement procedure
Resolution | 27.630 - 2.400 |
R-factor | 0.23548 |
Rwork | 0.235 |
R-free | 0.24824 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1na7 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.123 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.440 |
High resolution limit [Å] | 2.400 | 2.400 |
Number of reflections | 29130 | |
Completeness [%] | 98.4 | 99.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 296 | 17% polyethylene glycol 4000, 15% glycerol, 8.5% isopropanol, 0.085M Sodium HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 296K |