6RU6
Crystal structure of Casein Kinase I delta (CK1d) in complex with monophosphorylated p63 PAD1P peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-27 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.03320 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 171.937, 48.924, 85.199 |
| Unit cell angles | 90.00, 109.72, 90.00 |
Refinement procedure
| Resolution | 49.260 - 2.050 |
| R-factor | 0.2131 |
| Rwork | 0.211 |
| R-free | 0.25700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hnf |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.278 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.3) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.260 | 49.260 | 2.120 |
| High resolution limit [Å] | 2.050 | 7.940 | 2.050 |
| Rmerge | 0.117 | 0.052 | 0.784 |
| Rmeas | 0.131 | 0.058 | 0.876 |
| Rpim | 0.057 | 0.026 | 0.382 |
| Total number of observations | 208293 | ||
| Number of reflections | 42000 | 768 | 4126 |
| <I/σ(I)> | 8.3 | 21.1 | 2 |
| Completeness [%] | 99.4 | 97.1 | 99.5 |
| Redundancy | 5 | 4.6 | 5.1 |
| CC(1/2) | 0.996 | 0.997 | 0.837 |
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 |
