5HID

BRAF Kinase domain b3aC loop deletion mutant in complex with AZ628

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	110
Detector technology	CCD
Collection date	2015-07-22
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	49.710, 100.400, 108.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.860 - 2.500
R-factor	0.2364
Rwork	0.234
R-free	0.27900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5HI2 (partially refined)
RMSD bond length	0.011
RMSD bond angle	1.200
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	BUSTER (2.11.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.860	2.650
High resolution limit [Å]	2.500	2.500
<I/σ(I)>		1.52
Completeness [%]		71.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	20% PEG 3350, and 0.2M Potassium Nitrate