9O0V

Crystal structure of CRAF/MEK1 complex with PLX4720, CH5126766, and AMPPNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-03-07
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.920200
Spacegroup name	P 65 2 2
Unit cell lengths	180.936, 180.936, 366.828
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.030 - 3.500
R-factor	0.2078
Rwork	0.205
R-free	0.25370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.825
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.200	3.580
High resolution limit [Å]	3.500	3.500
Number of reflections	45366	3155
<I/σ(I)>	15.57	2.09
Completeness [%]	99.5	96.1
Redundancy	6.6	6.3
CC(1/2)	0.997	0.726

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	18% PEG 3350, 0.1 M Sodium citrate pH 5.6, 4% Tacsimate pH 5