4XV2

B-Raf Kinase V600E oncogenic mutant in complex with Dabrafenib

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-12-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.11587
Spacegroup name	P 21 21 21
Unit cell lengths	53.689, 105.666, 109.731
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.870 - 2.500
R-factor	0.213
Rwork	0.212
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.737
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((PHENIX.REFINE: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.114	2.640
High resolution limit [Å]	2.500	2.500
Number of reflections	22321
<I/σ(I)>	8.1
Completeness [%]	99.9	100
Redundancy	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	0.1M BISTRIS AT PH 6.0, 12.5% 2,5- HEXABEDIOL, 12% PEG3350, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 277K