6HNW
Human protein kinase CK2 alpha in complex with coumestrol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-07-10 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.329, 46.274, 63.428 |
| Unit cell angles | 90.00, 112.02, 90.00 |
Refinement procedure
| Resolution | 36.365 - 2.000 |
| R-factor | 0.1904 |
| Rwork | 0.188 |
| R-free | 0.22460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3q04 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.708 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.3.11) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.270 | 46.270 | 2.050 |
| High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
| Rmerge | 0.073 | 0.029 | 0.714 |
| Rmeas | 0.087 | 0.035 | 0.868 |
| Rpim | 0.048 | 0.019 | 0.487 |
| Total number of observations | 68767 | 833 | 4766 |
| Number of reflections | 21155 | 259 | 1551 |
| <I/σ(I)> | 11.7 | 30.7 | 2.3 |
| Completeness [%] | 98.6 | 96.9 | 99.7 |
| Redundancy | 3.3 | 3.2 | 3.1 |
| CC(1/2) | 0.988 | 0.998 | 0.570 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 32% PEG4000, 0.2 M Lithium Sulfate |
