9YMO

Crystal Structure of human KRAS G12D in complex with GDP and AM-2383

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	40.198, 53.816, 87.787
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.250
R-factor	0.18041
Rwork	0.179
R-free	0.19867
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.387
Data reduction software	HKL-2000 (2.3.15)
Data scaling software	HKL-2000 (2.3.15)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.270
High resolution limit [Å]	1.250	1.250
Rmerge	0.075	0.179
Number of reflections	53525	2664
<I/σ(I)>	22.57	10.86
Completeness [%]	99.9	99.8
Redundancy	7.2	7.1
CC(1/2)	1.000	0.977

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	200mM ammonium sulfate, 100mM sodium acetate, 25% PEG 4000