5H8B
Crystal structure of CK2 with compound 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-02-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 126.620, 126.620, 124.620 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.600 - 2.550 |
| R-factor | 0.1734 |
| Rwork | 0.171 |
| R-free | 0.21650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4grb |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.050 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.600 | |
| High resolution limit [Å] | 2.550 | |
| Rmerge | 0.242 | |
| Number of reflections | 33689 | |
| <I/σ(I)> | 15.8 | 3.9 |
| Completeness [%] | 99.8 | 99.1 |
| Redundancy | 14.4 | 14.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 22-26% PEG 6K, 200 mM ammonium sulfate, 100 mM MES, pH 6.5 |
