5OT5
The crystal structure of CK2alpha in complex with compound 24
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 | 2016-07-11 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97989 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 64.890, 68.190, 332.670 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.860 - 1.630 |
| R-factor | 0.217 |
| Rwork | 0.215 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cvh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.920 |
| 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] | 34.100 | 34.100 | 1.670 |
| High resolution limit [Å] | 1.630 | 7.290 | 1.630 |
| Rmerge | 0.036 | 0.019 | 0.806 |
| Rmeas | 0.040 | 0.021 | 0.991 |
| Rpim | 0.016 | 0.009 | 0.565 |
| Total number of observations | 523656 | 6583 | 15636 |
| Number of reflections | 91089 | ||
| <I/σ(I)> | 21.5 | 76.6 | 1.2 |
| Completeness [%] | 98.4 | 98.9 | 88.9 |
| Redundancy | 5.7 | 5.6 | 2.6 |
| CC(1/2) | 1.000 | 0.999 | 0.595 |
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 |
