9TC5

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	40.023, 53.634, 89.138
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.290 - 1.350
R-factor	0.19139
Rwork	0.190
R-free	0.21212
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	1.618
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]	22.300	1.370
High resolution limit [Å]	1.350	1.350
Rmeas	0.071
Rpim		0.566
Number of reflections	42969	3354
<I/σ(I)>	19.8
Completeness [%]	99.8
Redundancy	7.97

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