9L6F

Crystal structure of KRas G12D (GDP) in complex with ASP3082

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	90
Detector technology	PIXEL
Collection date	2023-01-20
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.99999
Spacegroup name	P 1 2 1
Unit cell lengths	144.348, 58.905, 165.979
Unit cell angles	90.00, 104.30, 90.00

Refinement procedure

Resolution	48.760 - 3.180
R-factor	0.24451
Rwork	0.241
R-free	0.30537
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ycc 6gmr
RMSD bond length	0.003
RMSD bond angle	1.103
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.900	3.290
High resolution limit [Å]	3.180	3.180
Rmerge	0.045	0.272
Rmeas	0.064	0.385
Rpim	0.045	0.272
Total number of observations	89094	8793
Number of reflections	46338	4518
<I/σ(I)>	10	2.4
Completeness [%]	100.0
Redundancy	1.9	1.9
CC(1/2)	0.998	0.932

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		296	bis-tris propane, sodium formate, PEG3350