5OTQ
The crystal structure of CK2alpha in complex with compound 33
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-10-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.896, 44.985, 63.472 |
| Unit cell angles | 90.00, 111.53, 90.00 |
Refinement procedure
| Resolution | 20.200 - 1.380 |
| R-factor | 0.1838 |
| Rwork | 0.183 |
| R-free | 0.19810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cvh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.010 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.27) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 59.040 | 59.040 | 1.420 |
| High resolution limit [Å] | 1.380 | 6.170 | 1.380 |
| Rmerge | 0.049 | 0.039 | 0.534 |
| Rmeas | 0.059 | 0.047 | 0.708 |
| Rpim | 0.032 | 0.026 | 0.459 |
| Total number of observations | 190559 | 2493 | 7222 |
| Number of reflections | 63430 | ||
| <I/σ(I)> | 8.8 | 22 | 1 |
| Completeness [%] | 97.9 | 99.8 | 80.7 |
| Redundancy | 3 | 3.2 | 1.9 |
| CC(1/2) | 0.998 | 0.997 | 0.656 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate |
