8CPR

G13D mutant of KRAS4b (2-169) bound to GDP with the switch-I in fully open conformation crystallized in sodium potassium phosphate buffer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	293
Detector technology	PIXEL
Collection date	2022-10-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976254
Spacegroup name	P 3 2 1
Unit cell lengths	76.413, 76.413, 55.862
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.720 - 2.000
R-factor	0.18288
Rwork	0.179
R-free	0.24809
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.453
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.686	2.146
High resolution limit [Å]	2.001	2.001
Rmerge	0.172	1.155
Rmeas	0.182	1.222
Rpim	0.059	0.394
Number of reflections	9569	478
<I/σ(I)>	8.6	2.1
Completeness [%]	73.3
Redundancy	9.7
CC(1/2)	0.999	0.775

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.4 M Na/K Phosphate pH around 8.8 OR 0.9 M Na/K Phosphate pH 9.1 (sodium potassium phosphate), 0.5 M Na/K Phosphate pH 8.3