6V6F

Crystal structure of Q61L KRAS(GMPPNP)-NF1(GRD)-SPRED1(EVH1) complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	72.011, 70.240, 79.700
Unit cell angles	90.00, 100.67, 90.00

Refinement procedure

Resolution	78.321 - 2.542
R-factor	0.2202
Rwork	0.216
R-free	0.26470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6v65
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]	78.321	78.321	2.700
High resolution limit [Å]	2.540	7.600	2.540
Rmerge	0.069	0.032	0.802
Rmeas	0.082	0.038	0.954
Total number of observations	86332
Number of reflections	25489	1004	3946
<I/σ(I)>	11.47	33.37	1.6
Completeness [%]	98.2	97.8	95
Redundancy	3.387	3.234	3.341
CC(1/2)	0.998	0.998	0.801

Crystallization Conditions

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