9OU0

K-Ras G12D 1-169 bound to MRTX-1133 at 277 K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE 7B2
Synchrotron site	CHESS
Beamline	7B2
Temperature [K]	100
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	55.078, 52.603, 80.250
Unit cell angles	90.00, 91.22, 90.00

Refinement procedure

Resolution	27.810 - 1.810
Rwork	0.183
R-free	0.18700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.442
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]	27.810	1.860
High resolution limit [Å]	1.810	1.810
Rmerge	0.123	0.950
Number of reflections	41723	2688
<I/σ(I)>	11.6	2
Completeness [%]	98.9	86
Redundancy	6.9
CC(1/2)	0.997	0.793

Crystallization Conditions

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