7RPZ

KRAS G12D in complex with MRTX-1133

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-04-22
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	39.868, 51.757, 89.611
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.430 - 1.300
R-factor	0.1499
Rwork	0.149
R-free	0.17130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6uto
RMSD bond length	0.019
RMSD bond angle	1.618
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.320
High resolution limit [Å]	1.300	1.300
Number of reflections	45402	2100
<I/σ(I)>	22.9	7.2
Completeness [%]	97.4	91.6
Redundancy	3.3	2.9
CC(1/2)	0.990	0.980

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM Sodium Citrate pH 4.2,29% PEG 8K, 200 mM Ammonium Acetate