9RTR

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-12-09
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9762
Spacegroup name	P 21 21 21
Unit cell lengths	66.716, 67.906, 292.536
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.700 - 2.600
R-factor	0.2111
Rwork	0.208
R-free	0.26200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.541
Data reduction software	AutoProcess
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	146.270	2.930
High resolution limit [Å]	2.600	2.600
Rmerge	0.260	1.663
Number of reflections	23614	123
<I/σ(I)>	8.1
Completeness [%]	56.3
Redundancy	13.4
CC(1/2)	0.994	0.720

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	8% PEG20K/PEG550MME, 0.1 M Tris pH8.6, 200 mM potassium bromide