8B00

KRAS-G13D 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	2022-03-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000004
Spacegroup name	P 21 21 2
Unit cell lengths	86.518, 40.620, 55.979
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.770 - 1.040
R-factor	0.1448
Rwork	0.144
R-free	0.16100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8afb
RMSD bond length	0.009
RMSD bond angle	1.119
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.980	1.151
High resolution limit [Å]	1.037	1.037
Rmerge	0.051	0.818
Number of reflections	65850	3293
<I/σ(I)>	18	2
Completeness [%]	94.7	69.2
Redundancy	10.9	6.9

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