8AEM
Structure of Compound 13 bound to CK2alpha
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER IMUS 3.0 MICROFOCUS |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-03-20 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.720, 45.886, 63.339 |
| Unit cell angles | 90.00, 111.63, 90.00 |
Refinement procedure
| Resolution | 36.190 - 1.600 |
| R-factor | 0.1898 |
| Rwork | 0.189 |
| R-free | 0.21250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5clp |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.330 |
| Data reduction software | PROTEUM PLUS |
| Data scaling software | PROTEUM PLUS (2013/3) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.190 | 1.700 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.068 | 0.335 |
| Number of reflections | 41472 | 6885 |
| <I/σ(I)> | 5.66 | 2.26 |
| Completeness [%] | 99.6 | 99.6 |
| Redundancy | 5.66 | 2.94 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate |
