9YMN

Crystal Structure of human KRAS G12D in complex with GDP and compound 7

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	2021-09-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	40.382, 51.904, 88.043
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.250
R-factor	0.20248
Rwork	0.201
R-free	0.23448
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.463
Data reduction software	HKL-2000 (2.3.15)
Data scaling software	HKL-2000 (2.3.15)
Phasing software	PHASER (2.8.3)
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	0.070	0.799
Number of reflections	51957	2538
<I/σ(I)>	23.29	2
Completeness [%]	99.8	99.8
Redundancy	4.9	3.4
CC(1/2)	0.987	0.514

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	30% PEG 4000