6U2G

BRAF-MEK complex with AMP-PCP bound to BRAF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	80
Detector technology	PIXEL
Collection date	2018-09-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.99999
Spacegroup name	P 31 2 1
Unit cell lengths	117.420, 117.420, 130.273
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	80.159 - 2.886
R-factor	0.2313
Rwork	0.229
R-free	0.27570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mne
RMSD bond length	0.016
RMSD bond angle	1.324
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.12-2829_final)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.159	2.989
High resolution limit [Å]	2.886	2.886
Rmerge	0.023	0.319
Number of reflections	23613	2337
<I/σ(I)>	17.85	2.08
Completeness [%]	99.0	99.96
Redundancy	2
CC(1/2)	1.000	0.786

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	Ammonium sulfate, MES, PEK 8000