4MNF

Crystal structure of BRAF-V600E bound to GDC0879

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-10-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 41 21 2
Unit cell lengths	99.740, 99.740, 159.032
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.870 - 2.802
R-factor	0.2146
Rwork	0.211
R-free	0.27450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3q4c
RMSD bond length	0.010
RMSD bond angle	1.265
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.870	2.900
High resolution limit [Å]	2.802	2.802
Number of reflections	20427
<I/σ(I)>	16.7	2.7
Completeness [%]	99.8	100
Redundancy	5.1	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292	10% PEG8000, 0.1 M HEPES, pH 7.5, 0.5 M sodium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 292K