4MBJ

Human B-Raf Kinase Domain in Complex with an Imidazopyridine-based Inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00
Spacegroup name	P 41 21 2
Unit cell lengths	106.970, 106.970, 152.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 3.600
R-factor	0.276
Rwork	0.276
R-free	0.32800
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.790
High resolution limit [Å]	3.600	3.600
Rmerge		0.366
Number of reflections	10739
<I/σ(I)>	8.2	2.1
Completeness [%]	99.7	99.7
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	PEG8000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K