5CX9
Crystal structure of CK2alpha with (methyl 4-((3-(3-chloro-4-(phenyl)benzylamino)propyl)amino)-4-oxobutanoate bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-02-01 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9174 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 64.684, 68.134, 334.512 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.460 - 1.732 |
| R-factor | 0.1893 |
| Rwork | 0.189 |
| R-free | 0.19820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3war |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.040 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.2.14) |
| Phasing software | PHASER |
| Refinement software | BUSTER-TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.456 | 1.738 |
| High resolution limit [Å] | 1.732 | 1.732 |
| Rmerge | 0.053 | 0.926 |
| Rpim | 0.023 | 0.321 |
| Total number of observations | 512458 | 75038 |
| Number of reflections | 77304 | |
| <I/σ(I)> | 18.8 | 2.1 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 6.6 | 6.9 |
| CC(1/2) | 0.999 | 0.874 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 107mM Mes pH 6.5, 29% glycerol ethoxylate, 1 M ammonium acetate |
