8PQF
c-KIT kinase domain in complex with avapritinib derivative 12
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-02-10 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.090, 59.250, 191.830 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.000 - 1.900 |
| R-factor | 0.1968 |
| Rwork | 0.196 |
| R-free | 0.21860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.633 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.960 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmeas | 0.094 | 1.597 |
| Number of reflections | 53195 | 7488 |
| <I/σ(I)> | 14.58 | 1.53 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.36 | 12.86 |
| CC(1/2) | 0.999 | 0.738 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 285.15 | 3 mg/mL, 21% PEG3350, 125 mM Li3-citrate |
