9TC0

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	2021-07-01
Detector	DECTRIS EIGER R 1M
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	39.880, 53.803, 88.188
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.340 - 1.600
R-factor	0.19273
Rwork	0.191
R-free	0.22745
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	1.573
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]	15.340	1.640
High resolution limit [Å]	1.600	1.600
Rmeas	0.076	0.555
Number of reflections	26233	1831
<I/σ(I)>	13.6
Completeness [%]	99.1
Redundancy	4.6

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