9U45

GDP-bound KRAS G12D in complex with 6029

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CAMD BEAMLINE GCPCC
Synchrotron site	CAMD
Beamline	GCPCC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-10
Detector	DECTRIS PILATUS 300K
Wavelength(s)	0.987
Spacegroup name	P 65 2 2
Unit cell lengths	82.564, 82.564, 98.323
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.060 - 1.360
R-factor	0.1954
Rwork	0.195
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.022
RMSD bond angle	1.762
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.060	1.409
High resolution limit [Å]	1.360	1.360
Number of reflections	42629	4210
<I/σ(I)>	13
Completeness [%]	99.1
Redundancy	1
CC(1/2)	0.900	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	100 mM MES (pH 5.5-6.5), PEG 8000 16-24 % (v/v) and 200 mM calcium acetate