5H8E
Crystal structure of CK2 with compound 7h
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97650 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 126.920, 126.920, 124.570 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.600 - 2.150 |
| R-factor | 0.1664 |
| Rwork | 0.165 |
| R-free | 0.19610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4grb |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.960 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.600 | |
| High resolution limit [Å] | 2.150 | |
| Rmerge | 0.099 | 0.594 |
| Number of reflections | 55872 | |
| <I/σ(I)> | 18.6 | 3.9 |
| Completeness [%] | 99.8 | 98.9 |
| Redundancy | 7.3 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 22-26% PEG 6K, 200 mM ammonium sulfate, 100 mM MES, pH 6.5 |
