3PRF

Crystal Structure of Human B-Raf Kinase Domain in Complex with a Non-Oxime Furopyridine Inhibitor

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
Spacegroup name	P 41 21 2
Unit cell lengths	100.188, 100.188, 164.606
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.900
R-factor	0.27094
Rwork	0.269
R-free	0.31016
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.484
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.000
High resolution limit [Å]	2.900	2.900
Number of reflections	19152
Completeness [%]	99.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	293	PEG 3350, Tris buffer, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K