8ECR

KRAS4b WT 1-185 bound to GDP-Mg2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-03
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	1.0
Spacegroup name	P 3
Unit cell lengths	84.313, 84.313, 41.733
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.160 - 1.420
R-factor	0.1645
Rwork	0.147
R-free	0.16880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4obe
RMSD bond length	0.009
RMSD bond angle	1.021
Data reduction software	XDS
Data scaling software	XDS (0.5.32 (Aimless))
Phasing software	PHENIX
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.160	1.440
High resolution limit [Å]	1.420	1.420
Rmerge	0.042	0.700
Rmeas	0.047	0.977
Rpim	0.021	0.680
Number of reflections	61036	2224
<I/σ(I)>	18.3	1
Completeness [%]	97.4	70.7
Redundancy	4.4	1.6
CC(1/2)	0.990	0.360

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293.15	20% PEG8000, 200 mM Magnesium chloride, 100 mM Tris-HCl pH 8.5