6OB3

Crystal structure of G13D-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	PIXEL
Collection date	2018-11-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979180
Spacegroup name	P 21 21 21
Unit cell lengths	81.677, 97.169, 155.525
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	77.763 - 2.100
R-factor	0.1869
Rwork	0.186
R-free	0.22590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ob2
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	97.169	97.169	2.230
High resolution limit [Å]	2.100	6.280	2.100
Rmerge	0.052	0.019	0.679
Rmeas	0.059	0.021	0.762
Total number of observations	350416
Number of reflections	72838	2927	11552
<I/σ(I)>	17.26	56.23	2.68
Completeness [%]	99.6	99.2	98.9
Redundancy	4.811	4.439	4.885
CC(1/2)	0.999	1.000	0.891

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	0.1 M MES pH 6.0 and 25% Pentaerythritol propoxylate (5/4 PO/OH)