8EDY

KRAS4b A146T 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	2016-12-17
Detector	RAYONIX MX-300
Wavelength(s)	0.9782
Spacegroup name	P 3 2 1
Unit cell lengths	78.302, 78.302, 55.848
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.150 - 1.180
R-factor	0.162
Rwork	0.162
R-free	0.17180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4obe
RMSD bond length	0.008
RMSD bond angle	1.134
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.800	1.227
High resolution limit [Å]	1.180	1.180
Rmerge	0.060	0.327
Rmeas	0.066	0.377
Rpim	0.027	0.182
Number of reflections	122556	5910
<I/σ(I)>	12.9	2.98
Completeness [%]	98.4
Redundancy	5.8
CC(1/2)	0.998	0.903

Crystallization Conditions

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