9RKE

Crystal Structure of compound 1-mediated ternary complex of KRAS G12R GCP with pVHL:ElonginC:ElonginB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9999
Spacegroup name	P 32 2 1
Unit cell lengths	101.934, 101.934, 275.675
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	91.890 - 2.830
R-factor	0.2363
Rwork	0.234
R-free	0.28580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.573
Data reduction software	xia2.multiplex
Data scaling software	xia2.multiplex
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.890	2.931
High resolution limit [Å]	2.830	2.830
Number of reflections	40611	3958
<I/σ(I)>	4.9
Completeness [%]	99.5	96.5
Redundancy	30.7
CC(1/2)	0.973	0.309

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.15	0.1 M Bis Tris pH 7.3, 0.3 M trisodium citrate, 20% PEG 3350