7RUN
Crystal structure of phosphorylated RET tyrosine kinase domain complexed with a pyrrolo[2,3-d]pyrimidine inhibitor.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-01-16 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97648 |
| Spacegroup name | P 63 |
| Unit cell lengths | 98.131, 98.131, 145.381 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.070 - 3.510 |
| R-factor | 0.2219 |
| Rwork | 0.220 |
| R-free | 0.24690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6vhg |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.649 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC |
| Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.630 |
| High resolution limit [Å] | 3.500 | 3.500 |
| Rmeas | 0.166 | |
| Rpim | 0.051 | 0.494 |
| Number of reflections | 10093 | 983 |
| <I/σ(I)> | 13.1 | 1.76 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.7 | 5.7 |
| CC(1/2) | 0.996 | 0.576 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 294 | 1.8M Ammonium sulfate, 0.1M sodium acetate pH 4.6 |
