4FC0

Crystal Structure of Human Kinase Domain of B-raf with a DFG-out Inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	92
Detector technology	CCD
Collection date	2008-10-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	109.968, 109.968, 145.973
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.950
R-factor	0.1999
Rwork	0.198
R-free	0.24310
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	1.079
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	REFMAC

Data quality characteristics

	Overall
Low resolution limit [Å]	40.000
High resolution limit [Å]	2.950
Number of reflections	19439
Completeness [%]	99.3
Redundancy	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.3	277	7.8% PEG 8000, 0.8M LiCl, 100 mM Tris, pH 8.3, VAPOR DIFFUSION, SITTING DROP, temperature 277K