7OK4

Crystal Structure of KRasG13C in Complex with Nucleotide-based covalent Inhibitor bdaGDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-31
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9999
Spacegroup name	P 63
Unit cell lengths	73.900, 73.900, 54.800
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.630 - 1.700
R-factor	0.1661
Rwork	0.165
R-free	0.18240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4obe
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.630	1.800
High resolution limit [Å]	1.700	1.700
Rmerge	0.070	1.557
Rmeas	0.071	1.596
Number of reflections	18838	2948
<I/σ(I)>	24.52
Completeness [%]	100.0	100
Redundancy	20.3
CC(1/2)	1.000	0.784

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M (NH4)F, 20 % PEG3350, 70 mg/mL KRas-bdaGDP, 0.1 uL reservoir + 0.1 uL protein solution