9RTQ

Crystal structure of BRAF:MEK1 complex with symmetric dimer interface bound to AMPPNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	87.631, 163.871, 201.097
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.060 - 2.910
R-factor	0.2075
Rwork	0.205
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.684
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.060	3.020
High resolution limit [Å]	2.910	2.910
Rmerge	0.080	1.404
Number of reflections	50678	885
<I/σ(I)>	14.7	1.4
Completeness [%]	78.8
Redundancy	6.8
CC(1/2)	1.000	0.583

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	10% PEG4000, 0.1 mM NaMES pH6.3, and 200 mM calcium acetate