7OK3

Crystal Structure of KRasG13C in Complex with Nucleotide-based Covalent Inhibitor edaGDP

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	2018-09-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.915
Spacegroup name	P 63
Unit cell lengths	73.400, 73.400, 54.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.240 - 1.600
R-factor	0.1601
Rwork	0.158
R-free	0.20010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4obe
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.243	1.700
High resolution limit [Å]	1.600	1.600
Rmerge	0.098	0.966
Rmeas	0.103	1.016
Number of reflections	22009	3625
<I/σ(I)>	12.71
Completeness [%]	100.0	100
Redundancy	10.1
CC(1/2)	0.990	0.801

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M (NH4)F, 20 % PEG3350, 67 mg/mL KRasG13C-edaGDP, 0.1 uL reservoir + 0.1 uL protein solution