4DBN

Crystal Structure of the Kinase domain of Human B-raf with a [1,3]thiazolo[5,4-b]pyridine derivative

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	2009-07-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1
Spacegroup name	P 41 21 2
Unit cell lengths	111.040, 111.040, 146.844
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 3.150
R-factor	0.1984
Rwork	0.196
R-free	0.24340
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	1.132
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	REFMAC

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	3.150
Number of reflections	16557
Completeness [%]	100.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.3	293	9.6% PEG 8000, 0.8M LiCl, 100 mM Tris, pH 8.3, VAPOR DIFFUSION, SITTING DROP, temperature 293K