8FMK

Crystal structure of human KRAS with extended switch I loop

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2020-11-11
Detector	RDI CMOS_8M
Wavelength(s)	1.00003
Spacegroup name	P 21 21 21
Unit cell lengths	33.643, 47.653, 90.101
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.120 - 1.480
R-factor	0.2
Rwork	0.198
R-free	0.23660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5us4
RMSD bond length	0.004
RMSD bond angle	0.818
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.650	1.510
High resolution limit [Å]	1.480	1.480
Rmeas	0.075	1.012
Rpim	0.028	0.431
Number of reflections	24873	1155
<I/σ(I)>	18.5	1.6
Completeness [%]	99.7	96
Redundancy	6.7	5.2
CC(1/2)	0.999	0.668

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	(NH)4Cl 0.2 M PEG3350 20-24%