6NEC
STRUCTURE OF RET PROTEIN TYROSINE KINASE DOMAIN IN COMPLEX WITH NINTEDANIB
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL14-1 |
| Synchrotron site | SSRL |
| Beamline | BL14-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-05 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.587, 80.295, 79.926 |
| Unit cell angles | 90.00, 100.52, 90.00 |
Refinement procedure
| Resolution | 56.160 - 1.870 |
| R-factor | 0.19612 |
| Rwork | 0.194 |
| R-free | 0.23188 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ivt |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.323 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.600 | 1.900 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmerge | 0.043 | 0.397 |
| Number of reflections | 50094 | 2076 |
| <I/σ(I)> | 25.1 | |
| Completeness [%] | 86.2 | 80.4 |
| Redundancy | 3.4 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 297 | 2.6 M Na FORMATE 0.1M Na CITRATE PH5.5 |
