6V2W

Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978
Spacegroup name	P 31 2 1
Unit cell lengths	116.278, 116.278, 129.739
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.295 - 3.120
R-factor	0.1891
Rwork	0.187
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6pp9
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.295	3.232
High resolution limit [Å]	3.120	3.120
Rmerge	0.161
Rpim	0.046	0.583
Number of reflections	18483	1816
<I/σ(I)>	18.11	1.66
Completeness [%]	99.8	99.62
Redundancy	13
CC(1/2)	0.998	0.878

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	100 mM Bis-Tris pH 8.5, 200 mM Lithium Sulfate, and 22% PEG3350