9UKY
Crystal structure of dmCIAO1-CIAO2B-hCDKAL1 pentapeptide complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2021-04-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 162.977, 74.856, 47.867 |
| Unit cell angles | 90.00, 99.16, 90.00 |
Refinement procedure
| Resolution | 47.256 - 2.500 |
| R-factor | 0.1745 |
| Rwork | 0.171 |
| R-free | 0.23180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6tbn |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.000 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.082 | 0.460 |
| Rmeas | 0.088 | 0.505 |
| Rpim | 0.032 | 0.205 |
| Number of reflections | 19475 | 1695 |
| <I/σ(I)> | 23.2 | 2 |
| Completeness [%] | 98.4 | 84.9 |
| Redundancy | 7.2 | 5.5 |
| CC(1/2) | 0.997 | 0.909 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.1 | 277 | 0.2 M Sodium phosphate dibasic dihydrate, 20% (w/v) PEG 3350, pH 9.1 |
