9TWB

Crystal structure of BRAF(val600):MEK1(pS222) complex with asymmetric dimer interface bound to ADP

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	2023-02-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	68.126, 67.978, 291.533
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.590 - 2.450
Rwork	0.219
R-free	0.26460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.580
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (v1.20)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.590	2.760
High resolution limit [Å]	2.450	2.450
Rmerge	0.049	1.060
Number of reflections	30246	1512
<I/σ(I)>	18.9	1.8
Completeness [%]	59.8	10
Redundancy	6.6	6.8
CC(1/2)	1.000	0.687

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	PEG20K/PEG550MME,TrisHCl, calcium acetate