8FMI

Crystal structure of human KRAS at 1.12 A

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	2021-05-05
Detector	RDI CMOS_8M
Wavelength(s)	1.07216
Spacegroup name	P 21 21 21
Unit cell lengths	38.930, 39.810, 91.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.520 - 1.120
R-factor	0.1209
Rwork	0.119
R-free	0.14730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5us4
RMSD bond length	0.011
RMSD bond angle	1.237
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]	36.520	1.140
High resolution limit [Å]	1.120	1.120
Rmeas	0.092	0.662
Rpim	0.029	0.318
Number of reflections	55227	2494
<I/σ(I)>	24.3	3.1
Completeness [%]	99.2	90.3
Redundancy	7.1
CC(1/2)	0.998	0.735

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Ammonium Formate 0.2 M and PEG 3350 20%