3Q9X
Crystal structure of human CK2 alpha in complex with emodin 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 | 2008-03-06 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.972937 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 128.010, 128.010, 124.597 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 73.320 - 2.200 |
R-factor | 0.1966 |
Rwork | 0.194 |
R-free | 0.24310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2pvr |
RMSD bond length | 0.023 |
RMSD bond angle | 1.959 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.25) |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 73.320 | 73.324 | 2.320 |
High resolution limit [Å] | 2.200 | 6.960 | 2.200 |
Rmerge | 0.086 | 0.037 | 0.583 |
Rmeas | 0.046 | 0.757 | |
Rpim | 0.027 | 0.477 | |
Total number of observations | 3417 | 12864 | |
Number of reflections | 44592 | ||
<I/σ(I)> | 8.1 | 23.4 | 1.7 |
Completeness [%] | 85.5 | 74.6 | 86.4 |
Redundancy | 2.3 | 2.6 | 2 |
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 |