4XV9

B-Raf Kinase domain in complex with PLX5568

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-11-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 43 2 2
Unit cell lengths	119.297, 119.297, 52.507
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.630 - 2.000
R-factor	0.206
Rwork	0.205
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.144
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.1.25)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	119.523	2.050
High resolution limit [Å]	2.000	2.000
Number of reflections	26185
<I/σ(I)>	6.9
Completeness [%]	99.8	100
Redundancy	13.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	0.1M MES AT PH6.0, 35% (V/V) 2-METHYL- 2,4-PENTANEDIOL 0.2M LI2SO4, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 277K