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 |