8PQH
PDGFRA T674I mutant kinase domain in complex with avapritinib
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 | 2021-02-17 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.270, 73.260, 102.590 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.570 - 2.500 |
R-factor | 0.2201 |
Rwork | 0.218 |
R-free | 0.24860 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.004 |
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] | 46.750 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmeas | 0.080 | 1.499 |
Number of reflections | 14185 | 1529 |
<I/σ(I)> | 18.79 | 2.06 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.09 | 13.67 |
CC(1/2) | 0.999 | 0.770 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 10 mg/mL, 13% PEG3350, 200 mM KCl |