8QW6

Crystal Structure of compound 3 in complex with KRAS G12V C118S GDP and pVHL:ElonginC:ElonginB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	80
Detector technology	PIXEL
Collection date	2019-05-04
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.00002
Spacegroup name	P 1
Unit cell lengths	70.207, 72.298, 80.794
Unit cell angles	112.25, 100.61, 100.57

Refinement procedure

Resolution	46.370 - 2.200
R-factor	0.257
Rwork	0.255
R-free	0.29490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.025
RMSD bond angle	2.057
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.300	2.455
High resolution limit [Å]	2.200	2.210
Rmeas	0.024
Rpim	0.040	0.331
Number of reflections	39191	1960
<I/σ(I)>	7.4
Completeness [%]	82.3
Redundancy	2.5
CC(1/2)	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	200 mM sodium citrate, 100 mM BIS-TRIS propane pH 8.5, 20% w/v polyethylene glycol 3350