8AZZ

KRAS-G12V in complex with BI-2865

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999824
Spacegroup name	P 21 21 2
Unit cell lengths	86.476, 40.709, 55.989
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.220 - 1.020
R-factor	0.1461
Rwork	0.145
R-free	0.16690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8afb
RMSD bond length	0.008
RMSD bond angle	1.046
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (dev_4839)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.989	1.128
High resolution limit [Å]	1.020	1.025
Rmerge	0.037	0.711
Number of reflections	74206	3711
<I/σ(I)>	24.2	1.9
Completeness [%]	94.5	62.6
Redundancy	12.1	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.2mM Magnesium Chloride, 20% PEG 2000, 100mM sodium acetate pH 4.4