9P46

Crystal structure of HRAS-G12D/Q95H (GMPPNP-bound) in complex with BBO-11818

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 63 2 2
Unit cell lengths	106.330, 106.330, 121.410
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.760 - 2.020
R-factor	0.1853
Rwork	0.181
R-free	0.22750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.915
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.760	29.760	2.080
High resolution limit [Å]	2.020	9.050	2.020
Rmerge	0.212	0.047	1.205
Rmeas	0.222	0.050	1.260
Number of reflections	26915	348	1905
<I/σ(I)>	10.07		2.03
Completeness [%]	99.6
Redundancy	11.1
CC(1/2)	0.996	0.998	0.608

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Bis-Tris pH 5.5, 25% PEG 3350, 0.2 M MgCl2