7NZN
Structure of RET kinase domain bound to inhibitor JB-48
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-21 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 72.910, 71.090, 80.180 |
| Unit cell angles | 90.00, 101.58, 90.00 |
Refinement procedure
| Resolution | 39.920 - 2.390 |
| R-factor | 0.2148 |
| Rwork | 0.213 |
| R-free | 0.25410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ckj |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.447 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.920 | 2.475 |
| High resolution limit [Å] | 2.390 | 2.390 |
| Number of reflections | 15912 | 1556 |
| <I/σ(I)> | 6.63 | 2.18 |
| Completeness [%] | 99.2 | 99.3 |
| Redundancy | 6 | 6.1 |
| CC(1/2) | 0.977 | 0.454 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 2-3M sodium formate 100mM sodium acetate pH 4.5-6 |
