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