6Q8K
CLK1 with bound pyridoquinazoline
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-19 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9184 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 72.848, 64.300, 86.339 |
| Unit cell angles | 90.00, 109.98, 90.00 |
Refinement procedure
| Resolution | 64.250 - 2.290 |
| R-factor | 0.1912 |
| Rwork | 0.188 |
| R-free | 0.25916 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.753 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.250 | 2.370 |
| High resolution limit [Å] | 2.290 | 2.290 |
| Rmerge | 0.082 | |
| Number of reflections | 16639 | 1608 |
| <I/σ(I)> | 9.1 | 3.7 |
| Completeness [%] | 98.0 | 97 |
| Redundancy | 4.8 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 277 | 255 PEG 6000. 0.1 M bicine pH 9.0 |
