6OB2

Crystal structure of wild-type KRAS (GMPPNP-bound) in complex with GAP-related domain (GRD) of neurofibromin (NF1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2016-12-10
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979180
Spacegroup name	P 21 21 21
Unit cell lengths	83.728, 99.736, 155.514
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.996 - 2.845
R-factor	0.2023
Rwork	0.199
R-free	0.24710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nf1
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.996	45.996	3.020
High resolution limit [Å]	2.845	8.410	2.845
Rmerge	0.090	0.034	0.824
Rmeas	0.098	0.037	0.899
Number of reflections	30699	1250	4720
<I/σ(I)>	13.88	38.24	2
Completeness [%]	98.1	94	95.2
Redundancy	6.42	6.076	6.199
CC(1/2)	0.999	0.999	0.664

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Tris pH 8.0 and 19% PAA-co-maleic acid