3U4U
Casein kinase 2 in complex with AZ-Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ DW |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-05-05 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.528, 61.895, 116.064 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.010 - 2.200 |
R-factor | 0.22346 |
Rwork | 0.221 |
R-free | 0.26919 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 1.592 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0046) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.900 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 17196 | |
<I/σ(I)> | 10.3 | 3.4 |
Completeness [%] | 91.6 | 59.4 |
Redundancy | 5.18 | 3.47 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 296 | 22-26% PEG 6K, 200 mM ammonium sulfate, 100 mM MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K |