7A4Q
The Crystal structure of RO4613269 bound to CK2alpha
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2020-08-07 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.9999 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.099, 45.387, 63.216 |
| Unit cell angles | 90.00, 111.51, 90.00 |
Refinement procedure
| Resolution | 49.960 - 1.420 |
| R-factor | 0.196 |
| Rwork | 0.195 |
| R-free | 0.22000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cvh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.030 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 58.810 | 58.810 | 1.490 |
| High resolution limit [Å] | 1.420 | 4.480 | 1.420 |
| Rmerge | 0.201 | 0.081 | 2.787 |
| Rmeas | 0.205 | 0.083 | 2.864 |
| Rpim | 0.041 | 0.017 | 0.650 |
| Total number of observations | 1384264 | 42658 | 159765 |
| Number of reflections | 58358 | 1948 | 8404 |
| <I/σ(I)> | 13.7 | 35.8 | 1.8 |
| Completeness [%] | 100.0 | 100 | 99.8 |
| Redundancy | 23.7 | 21.9 | 19 |
| CC(1/2) | 0.999 | 0.999 | 0.490 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 112.5mM Mes, 35% glycerol ethoxylate, 180 mM ammonium acetate |
