6RU8
Crystal structure of Casein Kinase I delta (CK1d) in complex with triple phosphorylated p63 PAD3P 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 | P 1 |
| Unit cell lengths | 48.727, 84.131, 89.287 |
| Unit cell angles | 108.60, 105.83, 91.57 |
Refinement procedure
| Resolution | 48.840 - 1.920 |
| R-factor | 0.1737 |
| Rwork | 0.172 |
| R-free | 0.21060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hnf |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.288 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.3) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.840 | 48.840 | 1.990 |
| High resolution limit [Å] | 1.920 | 7.440 | 1.920 |
| Rmerge | 0.096 | 0.062 | 0.676 |
| Rmeas | 0.111 | 0.071 | 0.785 |
| Rpim | 0.056 | 0.036 | 0.397 |
| Total number of observations | 348255 | ||
| Number of reflections | 90338 | 1670 | 8819 |
| <I/σ(I)> | 7.2 | 13.6 | 2.1 |
| Completeness [%] | 92.2 | 99.4 | 91.5 |
| Redundancy | 3.9 | 3.9 | 3.9 |
| CC(1/2) | 0.994 | 0.993 | 0.843 |
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 |
