5H8B
Crystal structure of CK2 with compound 2
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 | PIXEL |
Collection date | 2015-02-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 126.620, 126.620, 124.620 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.600 - 2.550 |
R-factor | 0.1734 |
Rwork | 0.171 |
R-free | 0.21650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4grb |
RMSD bond length | 0.010 |
RMSD bond angle | 1.050 |
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] | 2.550 | |
Rmerge | 0.242 | |
Number of reflections | 33689 | |
<I/σ(I)> | 15.8 | 3.9 |
Completeness [%] | 99.8 | 99.1 |
Redundancy | 14.4 | 14.5 |
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 |