8EER

KRAS4B A146V 1-185 bound to GDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2016-12-20
Detector	RAYONIX MX-300
Wavelength(s)	0.97817
Spacegroup name	P 3 2 1
Unit cell lengths	78.181, 78.181, 55.767
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	55.770 - 1.180
R-factor	0.1547
Rwork	0.154
R-free	0.17180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4obe
RMSD bond length	0.008
RMSD bond angle	1.124
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.770	1.227
High resolution limit [Å]	1.180	1.184
Rmerge	0.077	0.799
Rmeas	0.081	0.865
Rpim	0.025	0.321
Number of reflections	63328	5910
<I/σ(I)>	15.72	2.08
Completeness [%]	99.3	93.06
Redundancy	10.3	6.7
CC(1/2)	0.999	0.756

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	22% PEG3350, 200 mM lithium citrate, 10 mM Tris-HCl pH 8, 20 mM NaCl, 2 mM DTT, 1 mM magnesium chloride, 10 uM GDP, 12.8 mg/mL KRAS4B A146V