7ZYO
Compound 9 Bound to CK2alpha
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER IMUS MICROFOCUS |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-03-13 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.576, 45.502, 63.283 |
| Unit cell angles | 90.00, 111.51, 90.00 |
Refinement procedure
| Resolution | 22.430 - 1.580 |
| R-factor | 0.1765 |
| Rwork | 0.175 |
| R-free | 0.20400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5moh |
| 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] | 36.000 | 1.680 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.074 | 0.481 |
| Number of reflections | 37562 | 5706 |
| <I/σ(I)> | 14.95 | 2.28 |
| Completeness [%] | 87.8 | 79.8 |
| Redundancy | 5.41 | 2.54 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate |
