6CAD

Crystal structure of RAF kinase domain bound to the inhibitor 2a

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	2016-06-25
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9791
Spacegroup name	P 21 21 2
Unit cell lengths	85.493, 114.548, 55.599
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.583 - 2.550
R-factor	0.2558
Rwork	0.255
R-free	0.27700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4r5y
RMSD bond length	0.002
RMSD bond angle	0.496
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.583	2.700
High resolution limit [Å]	2.550	2.550
Rmeas	0.150
Number of reflections	18363
<I/σ(I)>	10.5	0.6
Completeness [%]	99.7	99.9
Redundancy	6.4	6.6
CC(1/2)		0.557

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	30% PEG 3350, 0.1M Bis-Tris Propane pH 6.5, 0.2M Sodium Nitrate