9L6A

Crystal structure of KRas G12D (GDP) in complex with compound 1

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	90
Detector technology	PIXEL
Collection date	2022-11-12
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1
Spacegroup name	H 3 2
Unit cell lengths	67.936, 67.936, 200.100
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.110 - 1.360
R-factor	0.22379
Rwork	0.223
R-free	0.24534
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ycc
RMSD bond length	0.011
RMSD bond angle	2.038
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]	38.110	1.380
High resolution limit [Å]	1.360	1.360
Rmerge	0.073	0.967
Rmeas	0.078	1.027
Rpim	0.026	0.341
Total number of observations	359394	17396
Number of reflections	38647	1895
<I/σ(I)>	20.4	3
Completeness [%]	99.9
Redundancy	9.3	9.2
CC(1/2)	0.998	0.801

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		296	Tris, magnesium chloride, NaCl, PEG3350