6RU7
Crystal structure of Casein Kinase I delta (CK1d) in complex with double phosphorylated p63 PAD2P peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-09-20 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 171.779, 48.673, 87.631 |
| Unit cell angles | 90.00, 109.93, 90.00 |
Refinement procedure
| Resolution | 46.600 - 2.080 |
| R-factor | 0.1775 |
| Rwork | 0.175 |
| R-free | 0.21820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hnf |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.323 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.2) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.600 | 46.600 | 2.190 |
| High resolution limit [Å] | 2.080 | 6.580 | 2.080 |
| Rmerge | 0.114 | 0.056 | 0.830 |
| Rmeas | 0.125 | 0.061 | 0.907 |
| Rpim | 0.050 | 0.024 | 0.360 |
| Total number of observations | 248293 | ||
| Number of reflections | 41053 | 1358 | 5997 |
| <I/σ(I)> | 8.6 | 19.6 | 2 |
| Completeness [%] | 99.3 | 97.5 | 99.6 |
| Redundancy | 6 | 5.8 | 6.2 |
| CC(1/2) | 0.996 | 0.997 | 0.865 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 10-20% PEG 3350, 0.1-0.2 M sodium sulfate and 0.1 M citrate, pH 4.6-5.9 |
