7SHV

Crystal structure of BRAF kinase domain bound to GDC0879

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	P 41 21 2
Unit cell lengths	98.638, 98.638, 159.136
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.780 - 2.880
R-factor	0.2206
Rwork	0.220
R-free	0.24180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mnf
RMSD bond length	0.010
RMSD bond angle	1.343
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.1-4122_final)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.780	3.065
High resolution limit [Å]	2.880	2.880
Rmeas	0.281
Rpim	0.076
Number of reflections	18435	1795
<I/σ(I)>	10.23
Completeness [%]	94.0	85.12
Redundancy	13.3	14.1
CC(1/2)	0.997	0.721

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.5	292	0.1 M Na Cacodylate pH 5.5, 0.1 M Ca Acetate, 12% PEG 8000