7ZY6
Identification of M4205 a highly selective inhibitor of cKIT mutations for unresectable metastatic or recurrent GIST
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 | 2017-09-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.99993 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.944, 78.806, 97.039 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.520 - 3.090 |
| R-factor | 0.2257 |
| Rwork | 0.220 |
| R-free | 0.29770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3g0e |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.970 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.8 (3-FEB-2022)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.170 | 3.340 |
| High resolution limit [Å] | 3.090 | 3.090 |
| Rmeas | 0.034 | 0.581 |
| Number of reflections | 6583 | 1361 |
| <I/σ(I)> | 24.78 | 2.33 |
| Completeness [%] | 96.0 | 98.5 |
| Redundancy | 2.8 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 298 | 5.0% PEG8000, 0.1M HEPES |
