5HIE

BRAF Kinase domain b3aC loop deletion mutant in complex with dabrafenib

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	2015-05-22
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	65.413, 127.786, 83.135
Unit cell angles	90.00, 105.79, 90.00

Refinement procedure

Resolution	35.280 - 3.000
R-factor	0.1957
Rwork	0.194
R-free	0.22100
RMSD bond length	0.008
RMSD bond angle	1.060
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]	35.280	3.120
High resolution limit [Å]	3.000	3.000
Number of reflections	25932
<I/σ(I)>	11.83	2.58
Completeness [%]	97.5	95.8
Redundancy	3.45	3.45

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	292	0.1M Tris pH8.5, 19.3% PEG 8K, 500 mM NaCl