6YPH
Crystal Structure of CK2alpha with Compound 2 bound
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 | 2016-07-16 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 64.493, 68.950, 331.567 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 82.890 - 1.670 |
| R-factor | 0.256 |
| Rwork | 0.255 |
| R-free | 0.27500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cu6 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.960 |
| 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] | 82.890 | 82.890 | 1.710 |
| High resolution limit [Å] | 1.670 | 7.470 | 1.670 |
| Rmerge | 0.132 | 0.076 | 0.942 |
| Rmeas | 0.144 | 0.083 | 1.027 |
| Rpim | 0.057 | 0.033 | 0.404 |
| Total number of observations | 547559 | 6493 | 38183 |
| Number of reflections | 85831 | 1115 | 6183 |
| <I/σ(I)> | 6.5 | 14.3 | 1 |
| Completeness [%] | 99.5 | 99.8 | 98.3 |
| Redundancy | 6.4 | 5.8 | 6.2 |
| CC(1/2) | 0.990 | 0.985 | 0.764 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.1 M HEPES 7.5 pH, 10 %w/v PEG 8K, 8 %v/v Ethelyene glycol |
