4DGM
Crystal Structure of maize CK2 in complex with the inhibitor apigenin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 142.363, 59.875, 45.931 |
| Unit cell angles | 90.00, 103.40, 90.00 |
Refinement procedure
| Resolution | 69.242 - 1.650 |
| R-factor | 0.2135 |
| Rwork | 0.211 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.362 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.20) |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 69.242 | 54.958 | 1.740 |
| High resolution limit [Å] | 1.650 | 5.220 | 1.650 |
| Rmerge | 0.051 | 0.446 | |
| Total number of observations | 4920 | 26389 | |
| Number of reflections | 45035 | ||
| <I/σ(I)> | 11.7 | 26.3 | 2.3 |
| Completeness [%] | 99.5 | 89.4 | 100 |
| Redundancy | 4 | 3.7 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 293 | 0.1 M Tris-HCl, 10-20% PEG 4000, 0.2 M Na-acetate, pH 8, VAPOR DIFFUSION, temperature 293K |
