9TC2

From KRASG12D to pan-KRAS inhibitors

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-08-15
Detector	RIGAKU HyPix-Arc 150
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	39.921, 53.903, 88.792
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.530 - 1.300
R-factor	0.17959
Rwork	0.179
R-free	0.19766
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	1.579
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.530	1.330
High resolution limit [Å]	1.300	1.300
Rmeas	0.059	0.648
Number of reflections	48484	3419
<I/σ(I)>	18
Completeness [%]	99.8
Redundancy	7.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.1M sodium acetate pH 5.5, 30-35% PEG3350