9BGH

Crystal structure of KRAS G12D 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	2023-10-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	65.483, 81.787, 127.832
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.480 - 1.650
R-factor	0.2193
Rwork	0.218
R-free	0.25090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.531
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.450	1.652	1.461
High resolution limit [Å]	1.175	1.637	1.452
Number of reflections	77267	2190	2232
<I/σ(I)>	5.4
Completeness [%]	74.7
Redundancy	7
CC(1/2)	0.998	0.303	0.052

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	100 mM Tris-HCl pH 8.5, 22% PEG 8K.