9O0U

Crystal structure of CRAF/MEK1 complex with PLX4720 and CH5126766

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	2024-11-08
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.920200
Spacegroup name	P 65 2 2
Unit cell lengths	180.990, 180.990, 367.020
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.100 - 2.910
R-factor	0.2318
Rwork	0.230
R-free	0.26390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.086
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]	50.000	3.080
High resolution limit [Å]	2.910	2.910
Rmerge	0.132	1.044
Number of reflections	147338	23539
<I/σ(I)>	9.63
Completeness [%]	99.7	98.8
Redundancy	4.79	4.69
CC(1/2)	0.995	0.995

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