8AEK
Structure of Compound 14 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 | 2015-09-21 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.460, 45.858, 63.117 |
| Unit cell angles | 90.00, 111.65, 90.00 |
Refinement procedure
| Resolution | 36.130 - 1.650 |
| R-factor | 0.1731 |
| Rwork | 0.172 |
| R-free | 0.19830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cvh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.940 |
| 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] | 100.000 | 1.750 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.061 | 0.310 |
| Number of reflections | 37717 | 6090 |
| <I/σ(I)> | 21.2 | 2.9 |
| Completeness [%] | 99.5 | 97.1 |
| Redundancy | 9.64 | 3.38 |
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 |
