5MO5
Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound
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 | 2015-02-07 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 64.656, 68.288, 334.502 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.950 - 2.040 |
| R-factor | 0.1966 |
| Rwork | 0.196 |
| R-free | 0.21270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cvh |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.020 |
| Data reduction software | XDS ((VERSION November 3) |
| Data scaling software | Aimless (0.2.14) |
| Phasing software | PHASER |
| Refinement software | BUSTER |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.950 | 2.045 |
| High resolution limit [Å] | 2.038 | 2.038 |
| Rmerge | 0.109 | 1.095 |
| Number of reflections | 47905 | |
| <I/σ(I)> | 11.7 | 2.1 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 5.8 | 5.9 |
| CC(1/2) | 0.997 | 0.783 |
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 |
