6I5I
Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound 12h
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-02-08 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.99000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 91.960, 64.010, 81.160 |
| Unit cell angles | 90.00, 122.71, 90.00 |
Refinement procedure
| Resolution | 49.320 - 1.600 |
| R-factor | 0.16551 |
| Rwork | 0.164 |
| R-free | 0.19557 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6g33 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.623 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.320 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.069 | 0.508 |
| Number of reflections | 51989 | 7542 |
| <I/σ(I)> | 8.5 | 2.2 |
| Completeness [%] | 99.4 | 99.5 |
| Redundancy | 2.9 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 277 | 20% PEG 6000, 0.1M bicine pH 9.0 |
