6V65

Crystal structure of KRAS(GMPPNP)-NF1(GRD)-SPRED1 complex

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	2018-11-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	72.556, 70.553, 80.311
Unit cell angles	90.00, 99.61, 90.00

Refinement procedure

Resolution	52.677 - 2.763
R-factor	0.2216
Rwork	0.221
R-free	0.24090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ob2 3syx
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.16)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	52.677	52.677	2.930
High resolution limit [Å]	2.760	8.250	2.760
Rmerge	0.073	0.036	0.624
Rmeas	0.083	0.041	0.709
Total number of observations	87931
Number of reflections	20234	782	3158
<I/σ(I)>	11.7	32.8	2.02
Completeness [%]	97.6	94.9	95.2
Redundancy	4.346	4.169	4.279
CC(1/2)	0.998	0.997	0.873

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	277	100 mM Tris pH7.8 100 mM ammonium sulfate 300 mM sodium formate 3% PEG3350, 3.5% PGA-LM 10% detergent ANAPOE-80