3Q04
Crystal structure of the apo-form of human CK2 alpha at pH 8.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.686, 46.065, 63.675 |
| Unit cell angles | 90.00, 111.51, 90.00 |
Refinement procedure
| Resolution | 59.230 - 1.800 |
| R-factor | 0.1645 |
| Rwork | 0.162 |
| R-free | 0.21630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pvr |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.915 |
| 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] | 59.240 | 59.240 | 1.900 |
| High resolution limit [Å] | 1.800 | 5.690 | 1.800 |
| Rmerge | 0.067 | 0.027 | 0.397 |
| Rmeas | 0.032 | 0.467 | |
| Rpim | 0.018 | 0.245 | |
| Total number of observations | 3105 | 15136 | |
| Number of reflections | 29505 | ||
| <I/σ(I)> | 17.5 | 36.8 | 5.3 |
| Completeness [%] | 99.7 | 94.8 | 99.8 |
| Redundancy | 3.5 | 3.3 | 3.6 |
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 |
