6YTA
CLK1 bound with imidazopyridazine (Cpd 1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-08 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 91.378, 64.560, 72.519 |
| Unit cell angles | 90.00, 117.55, 90.00 |
Refinement procedure
| Resolution | 64.300 - 2.300 |
| R-factor | 0.1938 |
| Rwork | 0.190 |
| R-free | 0.27520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1z57 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.855 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.1) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 64.300 | 64.300 | 2.380 |
| High resolution limit [Å] | 2.300 | 8.910 | 2.300 |
| Rmerge | 0.055 | 0.022 | 0.150 |
| Rmeas | 0.061 | 0.024 | 0.165 |
| Rpim | 0.026 | 0.010 | 0.070 |
| Total number of observations | 86772 | 1720 | 8470 |
| Number of reflections | 16584 | 309 | 1601 |
| <I/σ(I)> | 20.6 | 39.7 | 10.6 |
| Completeness [%] | 99.2 | 98.9 | 98.7 |
| Redundancy | 5.2 | 5.6 | 5.3 |
| CC(1/2) | 0.994 | 1.000 | 0.982 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 14% PEG 6k, 0.1M bicine |
