8BLR

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
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	78.076, 78.076, 56.197
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.260 - 1.400
R-factor	0.11857
Rwork	0.117
R-free	0.14426
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6m9w
RMSD bond length	0.011
RMSD bond angle	1.627
Data reduction software	XDS (VERSION Jan 10, 2022 BUILT=20220220)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0350)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.220	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.071	1.632
Rmeas	0.073	1.675
Rpim	0.017	0.373
Total number of observations	772553	38292
Number of reflections	39296	1921
<I/σ(I)>	20.7	2.3
Completeness [%]	100.0
Redundancy	19.7	19.9
CC(1/2)	0.999	0.755

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	2.4M sodium malonate pH 7