3Q9Z
Crystal structure of human CK2 alpha in complex with Quinalizarin at pH 6.5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-12-07 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.976234 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 127.956, 127.956, 125.739 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.220 - 2.200 |
R-factor | 0.2153 |
Rwork | 0.213 |
R-free | 0.26660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2pvr |
RMSD bond length | 0.022 |
RMSD bond angle | 1.867 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.9) |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 89.680 | 57.224 | 2.320 |
High resolution limit [Å] | 2.200 | 6.960 | 2.200 |
Rmerge | 0.043 | 0.636 | |
Rmeas | 0.055 | 0.815 | |
Rpim | 0.033 | 0.499 | |
Total number of observations | 3633 | 13857 | |
Number of reflections | 50758 | ||
<I/σ(I)> | 7.2 | 30.8 | 1.3 |
Completeness [%] | 95.6 | 85 | 85 |
Redundancy | 2.2 | 2.4 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 20% PEG 5000 MME, 0.2M ammonium sulfate, 0.1M Mes pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |