6Z50
Crystal structure of CLK1 in complex with macrocycle ODS2003208
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-08 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97626 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 69.173, 69.173, 330.581 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.650 - 1.600 |
| R-factor | 0.1522 |
| Rwork | 0.151 |
| R-free | 0.17950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6g33 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.656 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA (3.3.21) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.650 | 30.053 | 1.690 |
| High resolution limit [Å] | 1.600 | 5.060 | 1.600 |
| Rmerge | 0.075 | 0.049 | 0.597 |
| Rmeas | 0.077 | 0.051 | 0.632 |
| Rpim | 0.018 | 0.012 | 0.203 |
| Number of reflections | 63327 | 2353 | 8952 |
| <I/σ(I)> | 21.2 | 10 | 3.3 |
| Completeness [%] | 99.9 | 99.5 | 99.2 |
| Redundancy | 16.9 | 16.9 | 9.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 23% PEG3350, 0.1M sodium malonate |
