6YTG
CLK1 bound with beta-carboline KH-CARB13 (Cpd 3)
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 PILATUS 2M-F |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 92.928, 64.170, 80.809 |
| Unit cell angles | 90.00, 123.41, 90.00 |
Refinement procedure
| Resolution | 67.460 - 1.950 |
| R-factor | 0.2066 |
| Rwork | 0.204 |
| R-free | 0.26090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1z57 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.737 |
| 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] | 67.460 | 67.460 | 2.000 |
| High resolution limit [Å] | 1.950 | 8.940 | 1.950 |
| Rmerge | 0.077 | 0.026 | 0.413 |
| Rmeas | 0.084 | 0.028 | 0.454 |
| Rpim | 0.033 | 0.011 | 0.185 |
| Total number of observations | 183417 | 2135 | 11888 |
| Number of reflections | 29054 | 327 | 2009 |
| <I/σ(I)> | 12.8 | 26.8 | 3.7 |
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 6.3 | 6.5 | 5.9 |
| CC(1/2) | 0.998 | 0.999 | 0.909 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 17% PEG 6k, 0.1M bicine |
