3OG7

B-Raf Kinase V600E oncogenic mutant in complex with PLX4032

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	2008-03-28
Detector	ADSC QUANTUM 210
Wavelength(s)	1.1
Spacegroup name	P 21 21 21
Unit cell lengths	50.770, 104.424, 110.128
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.300 - 2.450
R-factor	0.2143
Rwork	0.212
R-free	0.25750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.649
Data reduction software	MOSFLM (3.3.15)
Data scaling software	SCALA (3.3.15)
Phasing software	MOLREP
Refinement software	PHENIX (1.5_2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	110.128	104.424	2.580
High resolution limit [Å]	2.450	7.750	2.450
Rmerge		0.024	0.524
Total number of observations		3356	14515
Number of reflections	22230
<I/σ(I)>	11.2	20.1	1.4
Completeness [%]	99.8	98.2	99.9
Redundancy	4.5	4.3	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	100MM BISTRIS AT PH 6.0, 12.5% 2,5-HEXANEDIOL, AND 12% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 277K