8EIE

KRAS4b K117N 1-185 bound to GNP-Mg2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2022-06-26
Detector	RAYONIX MX300-HS
Wavelength(s)	1.000
Spacegroup name	H 3
Unit cell lengths	78.980, 78.980, 77.710
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.490 - 1.410
R-factor	0.1831
Rwork	0.182
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6vc8
RMSD bond length	0.011
RMSD bond angle	1.200
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.490	1.460
High resolution limit [Å]	1.410	1.410
Rmerge	0.137	0.607
Rmeas	0.144	0.638
Rpim	0.043	0.194
Number of reflections	34844	3205
<I/σ(I)>	12.03	3.2
Completeness [%]	97.8	91.65
Redundancy	11.3	10.8
CC(1/2)	0.990	0.907

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293.15	30% PEG4000, 0.2 M sodium acetate, 0.1 M Tris-HCl pH 8.5, 20 mM sodium chloride, 1 mM magnesium chloride, 2 mM DTT, 2 mM GNP, 15 mg/ml KRAS K117N