5ITA

Crystal Structure of BRAF Kinase Domain Bound to AZ-VEM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-12
Detector	RAYONIX MX225HE
Wavelength(s)	0.9797
Spacegroup name	P 21 21 21
Unit cell lengths	52.105, 103.817, 110.567
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.730 - 1.950
R-factor	0.197
Rwork	0.195
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3og7
RMSD bond length	0.009
RMSD bond angle	1.002
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.949
Number of reflections	44542
<I/σ(I)>	26.9
Completeness [%]	99.7
Redundancy	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.1	PEG3350