8QVU

Crystal Structure of ligand ACBI3 in complex with KRAS G12D C118S GDP and pVHL:ElonginC:ElonginB complex

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	2023-04-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.99996
Spacegroup name	P 1 21 1
Unit cell lengths	72.253, 120.900, 81.016
Unit cell angles	90.00, 111.67, 90.00

Refinement procedure

Resolution	55.860 - 2.240
R-factor	0.2502
Rwork	0.248
R-free	0.28660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.199
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.289	2.300
High resolution limit [Å]	2.240	2.242
Rmerge	0.142	1.315
Rmeas	0.153
Rpim	0.057	0.525
Number of reflections	36523	1826
<I/σ(I)>	8	1.6
Completeness [%]	90.6	60.6
Redundancy	7.1	7.2
CC(1/2)	0.997	0.707

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	20% w/v PEG 8000, 0.2 M lithium chloride, 0.1 M Tris pH 8.0