9BAK

Crystal structure of GDP-bound human K-RAS in a covalent complex with aryl sulfonyl fluoride compounds.

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	2021-10-21
Detector	RDI CMOS_8M
Wavelength(s)	1.0722
Spacegroup name	P 1 21 1
Unit cell lengths	35.867, 83.885, 104.689
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.340 - 1.670
R-factor	0.2743
Rwork	0.270
R-free	0.28860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.693
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	104.690	1.700
High resolution limit [Å]	1.670	1.670
Rmeas	0.105	1.036
Rpim	0.055	0.535
Number of reflections	69748	12897
<I/σ(I)>	9	1.1
Completeness [%]	96.3	96.9
Redundancy	3.7
CC(1/2)	0.998	0.596

Crystallization Conditions

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