6N0Q

BRAF in complex with N-(4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)phenyl)-3-(trifluoromethyl)benzamide.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-12-15
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00
Spacegroup name	P 41 21 2
Unit cell lengths	94.320, 94.320, 162.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.530 - 2.040
R-factor	0.182
Rwork	0.181
R-free	0.21300
RMSD bond length	0.010
RMSD bond angle	1.050
Data reduction software	Adxv
Data scaling software	Aimless (0.7.1)
Phasing software	PHASER
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	51.530	51.530	2.150
High resolution limit [Å]	2.040	6.450	2.040
Rmerge	0.107	0.027	0.996
Rmeas	0.113	0.029	1.042
Rpim	0.033	0.009	0.304
Total number of observations	528042
Number of reflections	46389	1714	6847
<I/σ(I)>	16.7
Completeness [%]	97.4	99.9	100
Redundancy	11.4	10.5	11.7
CC(1/2)	0.999	1.000	0.764

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	100 mM Tris pH 8.3, 15% PEG8000, and 25% glycerol