6HOT
Human protein kinase CK2 alpha in complex with ferulic aldehyde
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 | 2016-05-05 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.443, 46.331, 63.338 |
| Unit cell angles | 90.00, 112.08, 90.00 |
Refinement procedure
| Resolution | 35.206 - 1.500 |
| R-factor | 0.1715 |
| Rwork | 0.170 |
| R-free | 0.19640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3q04 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.044 |
| 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] | 46.330 | 46.330 | 1.530 |
| High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
| Rmerge | 0.069 | 0.042 | 0.532 |
| Rmeas | 0.081 | 0.048 | 0.637 |
| Rpim | 0.040 | 0.024 | 0.342 |
| Total number of observations | 1257 | 7262 | |
| Number of reflections | 49911 | 326 | 2453 |
| <I/σ(I)> | 16.6 | 37 | 2.5 |
| Completeness [%] | 99.0 | 96.2 | 99.2 |
| Redundancy | 3.7 | 3.9 | 3 |
| CC(1/2) | 0.997 | 0.997 | 0.850 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 32% PEG4000, 0.2 M Lithium Sulfate |
