6RFF
Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 7
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-11-16 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.613, 45.288, 61.985 |
| Unit cell angles | 90.00, 112.07, 90.00 |
Refinement procedure
| Resolution | 33.401 - 1.800 |
| R-factor | 0.1623 |
| Rwork | 0.160 |
| R-free | 0.19880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4kwp |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.901 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.290 | 45.290 | 1.840 |
| High resolution limit [Å] | 1.800 | 9.000 | 1.800 |
| Rmerge | 0.062 | 0.027 | 0.571 |
| Rmeas | 0.072 | 0.031 | 0.661 |
| Rpim | 0.037 | 0.016 | 0.329 |
| Total number of observations | 102454 | 886 | 6244 |
| Number of reflections | 27539 | 242 | 1620 |
| <I/σ(I)> | 13.8 | 37.4 | 2.5 |
| Completeness [%] | 99.5 | 98.1 | 99.5 |
| Redundancy | 3.7 | 3.7 | 3.9 |
| CC(1/2) | 0.998 | 0.999 | 0.826 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 32% PEG4000, 0.2 M Lithium Sulfate |
