7AYA
Crystal structure of CK2 bound by compound 9
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 18-ID |
| Synchrotron site | APS |
| Beamline | 18-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-02-09 |
| Detector | ADSC QUANTUM 1 |
| Wavelength(s) | 1 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 127.140, 127.140, 124.750 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 89.050 - 2.450 |
| R-factor | 0.193 |
| Rwork | 0.191 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | na |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.090 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 124.750 | 2.830 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmeas | 0.303 | |
| Number of reflections | 38239 | 13171 |
| <I/σ(I)> | 14.5 | 3.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 14.5 | 14.5 |
| CC(1/2) | 0.870 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 22-26% PEG 6000 ( w/v ), 0.2 M ammonium sulfate and 0.1 M MES (pH 6.5). |
