8QQG

Structure of BRAF in Complex With Exarafenib (KIN-2787).

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	2020-07-13
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.999
Spacegroup name	I 41 2 2
Unit cell lengths	206.778, 206.778, 149.382
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	146.214 - 2.979
Rwork	0.224
R-free	0.26120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.349
Data reduction software	XDS
Data scaling software	pointless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	146.214	3.134
High resolution limit [Å]	2.979	2.979
Number of reflections	29475	1472
<I/σ(I)>	6.9
Completeness [%]	93.9
Redundancy	15.9
CC(1/2)	0.965	0.359

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1 M Hepes pH 6.7, 3.9 M NaCl, 0.10 M SCN