7AY9
Crystal structure of CK2 bound by compound 7
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 | 2011-04-19 |
| Detector | ADSC QUANTUM 1 |
| Wavelength(s) | 0.97931 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 127.449, 127.449, 124.839 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.180 - 2.250 |
| R-factor | 0.168 |
| Rwork | 0.166 |
| R-free | 0.20700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | na |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.980 |
| 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] | 127.450 | 2.380 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.096 | |
| Number of reflections | 49058 | 7034 |
| <I/σ(I)> | 23.1 | 6.7 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 14.4 | 14.5 |
| CC(1/2) | 0.522 |
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). |
