9HMR

KRAS-G12V-D92C covalently bound to BI-1830

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	193
Detector technology	PIXEL
Collection date	2023-05-25
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.999905
Spacegroup name	P 1 21 1
Unit cell lengths	43.871, 116.558, 68.642
Unit cell angles	90.00, 108.64, 90.00

Refinement procedure

Resolution	39.155 - 1.500
Rwork	0.205
R-free	0.23930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.928
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.280	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.078	1.042
Number of reflections	103561	3499
<I/σ(I)>	9.8
Completeness [%]	99.4
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1 M BIS-TRIS propane pH 7.5, 10% ethylene glycol, 20% PEG 3350, 0.2 M sodium fluoride