7MFC
Crystal structure of CSF1R in complex with vimseltinib
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-10-13 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 61.870, 61.870, 181.750 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.440 - 2.800 |
R-factor | 0.229 |
Rwork | 0.226 |
R-free | 0.25600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2I1M CHAIN A |
RMSD bond length | 0.003 |
RMSD bond angle | 0.584 |
Data reduction software | XDS |
Data scaling software | XSCALE (VERSION May 1, 2016 BUILT=20160617) |
Phasing software | PHASER |
Refinement software | PHENIX (1.11_2563) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.440 | 2.877 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.128 | 0.534 |
Rmeas | 0.139 | 0.047 |
Total number of observations | 59674 | |
Number of reflections | 9256 | 123 |
<I/σ(I)> | 10.94 | 3.23 |
Completeness [%] | 99.3 | 100 |
Redundancy | 6.4 | 6.9 |
CC(1/2) | 0.996 | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | CSF1R at 4mg/ml with 0.5mM vimseltinib: Crystallization: 100mM Tris base / HCl pH 7.71, 18% PEG 8000, 100mM MgCl2: Cryo: 20% glycerol |