9BAI

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	36.022, 83.944, 104.553
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.460 - 1.490
R-factor	0.1877
Rwork	0.186
R-free	0.22490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.334
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]	104.550	1.520
High resolution limit [Å]	1.490	1.490
Rmeas	0.100	0.915
Rpim	0.053	0.497
Number of reflections	98547	4602
<I/σ(I)>	9.9	1.3
Completeness [%]	97.9	92.5
Redundancy	3.7
CC(1/2)	0.996	0.539

Crystallization Conditions

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