3Q9W
Crystal structure of human CK2 alpha in complex with emodin at pH 8.5
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 | 2008-03-07 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.972937 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.337, 45.619, 62.613 |
| Unit cell angles | 90.00, 111.88, 90.00 |
Refinement procedure
| Resolution | 58.120 - 1.700 |
| R-factor | 0.173 |
| Rwork | 0.170 |
| R-free | 0.22340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pvr |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.032 |
| 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] | 58.124 | 58.302 | 1.790 |
| High resolution limit [Å] | 1.700 | 5.380 | 1.700 |
| Rmerge | 0.062 | 0.033 | 0.305 |
| Rmeas | 0.040 | 0.408 | |
| Rpim | 0.023 | 0.267 | |
| Total number of observations | 3091 | 5230 | |
| Number of reflections | 30551 | ||
| <I/σ(I)> | 14.3 | 29.4 | 2.7 |
| Completeness [%] | 90.3 | 94.7 | 58.1 |
| Redundancy | 2.7 | 2.9 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 30% PEG 4000, 0.2M lithium sulfate, 0.1M TrisHCl, pH 8.5, vapor diffusion, sitting drop, temperature 293K |
