9OUJ

K-Ras G12D 1-169 bound to MRTX-1133 at 310 K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE 7B2
Synchrotron site	CHESS
Beamline	7B2
Temperature [K]	310
Detector technology	PIXEL
Collection date	2024-09-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9686
Spacegroup name	P 1 21 1
Unit cell lengths	55.113, 52.586, 80.310
Unit cell angles	90.00, 91.42, 90.00

Refinement procedure

Resolution	27.850 - 1.890
Rwork	0.205
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	2.009
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.850	1.940
High resolution limit [Å]	1.890	1.890
Rmerge	0.093	0.815
Number of reflections	36882	2686
<I/σ(I)>	14.6	2.1
Completeness [%]	99.9
Redundancy	6.9
CC(1/2)	0.999	0.769

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	26% PEG8000, 150 mM ammonium acetate, 100 mM sodium citrate, pH 5.7