9BHQ

Crystal structure of KRAS G12A in a transition state mimetic complex with CYPA and RMC-7977

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	65.606, 83.312, 127.691
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.810 - 1.900
R-factor	0.1944
Rwork	0.192
R-free	0.23230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.888
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.810	1.930
High resolution limit [Å]	1.900	1.900
Rmeas	0.155	0.813
Number of reflections	52196	2146
<I/σ(I)>	15.307
Completeness [%]	93.1
Redundancy	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	100 mM Tris pH 8.5, 15% PEG 10000