6P7G

The co-crystal structure of BRAF(V600E) with PHI1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03324
Spacegroup name	P 21 21 21
Unit cell lengths	95.780, 108.790, 126.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	82.450 - 2.650
R-factor	0.249
Rwork	0.248
R-free	0.27900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.515
Data reduction software	MOSFLM (7.2.1)
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.7.17)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.450	2.790
High resolution limit [Å]	2.650	2.650
Rmerge		0.966
Number of reflections	36800	5373
<I/σ(I)>	3	0.8
Completeness [%]	94.9	96.2
Redundancy	2.9	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	291	0.1 M CHES/NaOH, 1 M Sodium Citrate