5OTL
The crystal structure of CK2alpha in complex with compound 29
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 | 64.656, 67.832, 332.898 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 83.220 - 1.570 |
| R-factor | 0.226 |
| Rwork | 0.225 |
| R-free | 0.24400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cvh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.950 |
| 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] | 332.900 | 332.900 | 1.610 |
| High resolution limit [Å] | 1.570 | 7.020 | 1.570 |
| Rmerge | 0.055 | 0.031 | 0.992 |
| Rmeas | 0.060 | 0.035 | 1.080 |
| Rpim | 0.024 | 0.015 | 0.422 |
| Total number of observations | 659167 | 7777 | 46113 |
| Number of reflections | 101780 | ||
| <I/σ(I)> | 12.1 | 43.5 | 1.4 |
| Completeness [%] | 99.3 | 99.9 | 97.8 |
| Redundancy | 6.5 | 5.9 | 6.3 |
| CC(1/2) | 0.997 | 0.987 | 0.786 |
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 |
