5OTO
The crystal structure of CK2alpha in complex with compound 30
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92820 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 65.480, 69.540, 337.210 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 168.600 - 1.510 |
| R-factor | 0.24 |
| Rwork | 0.239 |
| R-free | 0.25290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cvh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.910 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.26) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 337.210 | 337.210 | 1.550 |
| High resolution limit [Å] | 1.510 | 6.750 | 1.510 |
| Rmerge | 0.071 | 0.035 | 1.502 |
| Rmeas | 0.076 | 0.038 | 1.632 |
| Rpim | 0.027 | 0.013 | 0.618 |
| Total number of observations | 943839 | 11723 | 59587 |
| Number of reflections | 121077 | ||
| <I/σ(I)> | 10 | 33.6 | 1.1 |
| Completeness [%] | 99.9 | 99.8 | 99.7 |
| Redundancy | 7.8 | 7.7 | 6.7 |
| CC(1/2) | 0.999 | 0.999 | 0.598 |
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 |
