5OTP
The crystal structure of CK2alpha in complex with an analogue of compound 22
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-07-16 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97949 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 64.825, 69.069, 332.930 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 166.470 - 1.570 |
| R-factor | 0.223 |
| Rwork | 0.222 |
| R-free | 0.24000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cvh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.930 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.26) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 166.470 | 166.470 | 1.610 |
| High resolution limit [Å] | 1.570 | 7.020 | 1.570 |
| Rmerge | 0.102 | 0.039 | 1.363 |
| Rmeas | 0.111 | 0.043 | 1.495 |
| Rpim | 0.044 | 0.018 | 0.608 |
| Total number of observations | 660242 | 7769 | 45224 |
| Number of reflections | 104782 | ||
| <I/σ(I)> | 7.6 | 18.6 | 1.1 |
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 6.3 | 5.8 | 5.9 |
| CC(1/2) | 0.997 | 0.998 | 0.624 |
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 |
