5H8G
Crystal structure of CK2 with compound 7b
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-02-23 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.810, 78.810, 81.880 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.220 - 2.000 |
| R-factor | 0.1609 |
| Rwork | 0.159 |
| R-free | 0.19820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4grb |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.980 |
| 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] | 21.220 | |
| High resolution limit [Å] | 2.000 | |
| Rmerge | 0.091 | 0.286 |
| Number of reflections | 20991 | |
| <I/σ(I)> | 14.3 | 5.2 |
| Completeness [%] | 97.9 | 77.6 |
| Redundancy | 4.1 | 3.9 |
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 |
