8JOT

Crystal structure of CSF-1R kinase domain with sulfatinib

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	277.15
Detector technology	CCD
Collection date	2023-01-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.69
Spacegroup name	P 43 21 2
Unit cell lengths	64.310, 64.310, 184.685
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.580 - 1.690
R-factor	0.1803
Rwork	0.179
R-free	0.20710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hw7
RMSD bond length	0.007
RMSD bond angle	0.865
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.510	1.750
High resolution limit [Å]	1.690	1.690
Rmerge		0.753
Number of reflections	44396	3092
<I/σ(I)>	9.2
Completeness [%]	99.7
Redundancy	10.5
CC(1/2)	0.993	0.463

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.15	19% PEG8K, 0.2 M MgCl and 0.1 M Tris, pH 7.5