4XV3

B-Raf Kinase V600E oncogenic mutant in complex with PLX7922

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	2011-04-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.11587
Spacegroup name	P 21 21 21
Unit cell lengths	51.945, 105.448, 111.314
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.657 - 2.800
R-factor	0.26
Rwork	0.258
R-free	0.29600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.654
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]	55.657	2.760
High resolution limit [Å]	2.620	2.620
Number of reflections	19047
<I/σ(I)>	5.1
Completeness [%]	99.9	99.9
Redundancy	4.6

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