6PP9

Crystal structure of BRAF:MEK1 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978
Spacegroup name	P 31 2 1
Unit cell lengths	116.697, 116.697, 130.944
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.648 - 2.590
R-factor	0.2218
Rwork	0.221
R-free	0.24550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nyb
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.648	2.683
High resolution limit [Å]	2.580	2.580
Rmerge	0.215
Rmeas	0.224
Rpim	0.061	0.425
Number of reflections	32549	3190
<I/σ(I)>	10.86	2
Completeness [%]	100.0	100
Redundancy	13.3	13.9
CC(1/2)	0.999	0.888

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	293	100 mM Bis-Tris pH 6.4, 200 mM Ammonium Sulfate, and 22% PEG3350