7EYX

Crystal structure of Mg-free KRAS-G12D bound to GDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	298
Detector technology	CCD
Collection date	2020-04-13
Detector	AGILENT ATLAS CCD
Wavelength(s)	0.9870
Spacegroup name	P 21 21 21
Unit cell lengths	36.010, 37.340, 100.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.820
Rwork	0.173
R-free	0.21240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4obe
RMSD bond length	0.010
RMSD bond angle	1.189
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX (1.19.2)
Refinement software	PHENIX (1.19.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.200	1.885
High resolution limit [Å]	1.820	1.820
Number of reflections	12730	1260
<I/σ(I)>	50.88
Completeness [%]	99.8
Redundancy	1
CC(1/2)	0.870	0.852

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	30% (w/v) PEG-8000, 0.1M Acetate pH 4.5, 0.2M Li2SO4 (final pH 4.7)