6ISJ
Crystal structure of CX-4945 bound CK2 alpha from C. neoformans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 11C |
| Synchrotron site | PAL/PLS |
| Beamline | 11C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 91.110, 95.720, 94.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.990 - 2.300 |
| R-factor | 0.20812 |
| Rwork | 0.207 |
| R-free | 0.23088 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lp4 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.586 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 94.600 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.110 | 0.329 |
| Number of reflections | 17652 | |
| <I/σ(I)> | 10.9 | |
| Completeness [%] | 99.1 | |
| Redundancy | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 290 | 0.2 M lithium sulfate, 0.1 M Tris pH 8.5, 30 %(w/v) PEG 4000, 30%(w/v) dextran sulfate sodium salt, 5 mM CX-4945 |
