5OTY
The crystal structure of CK2alpha in complex with CAM4712
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 | 2016-07-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97628 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.110, 46.220, 63.600 |
| Unit cell angles | 90.00, 112.21, 90.00 |
Refinement procedure
| Resolution | 53.800 - 1.480 |
| R-factor | 0.1706 |
| Rwork | 0.169 |
| R-free | 0.19220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cvh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.990 |
| 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] | 53.800 | 53.800 | 1.520 |
| High resolution limit [Å] | 1.480 | 6.620 | 1.480 |
| Rmerge | 0.062 | 0.033 | 0.809 |
| Rmeas | 0.074 | 0.040 | 0.977 |
| Rpim | 0.040 | 0.022 | 0.541 |
| Total number of observations | 165800 | 1778 | 11661 |
| Number of reflections | 51587 | ||
| <I/σ(I)> | 10.3 | 28.7 | 1.5 |
| Completeness [%] | 98.8 | 93.3 | 98.6 |
| Redundancy | 3.2 | 3 | 3.1 |
| CC(1/2) | 0.998 | 0.998 | 0.504 |
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 |
