9ZPA

KRAS G12V Mutant in Complex with GDP and Compound 12.

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-20
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.97648
Spacegroup name	P 1 21 1
Unit cell lengths	42.659, 93.651, 52.103
Unit cell angles	90.00, 111.30, 90.00

Refinement procedure

Resolution	48.550 - 1.680
R-factor	0.2223
Rwork	0.220
R-free	0.25540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.981
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.550	1.706
High resolution limit [Å]	1.677	1.677
Rmerge	0.130	1.244
Rmeas	0.153	1.483
Rpim	0.080	0.796
Number of reflections	41040	1829
<I/σ(I)>	4.5	0.8
Completeness [%]	94.1	83
Redundancy	3.4	3.1
CC(1/2)	0.988	0.405

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294	20% w/v PEG4K, 0.2 M LiSO4