7T1F

Crystal structure of GDP-bound T50I mutant of human KRAS4B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-15
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.11584
Spacegroup name	P 61 2 2
Unit cell lengths	70.110, 70.110, 337.610
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.289 - 2.200
R-factor	0.2132
Rwork	0.211
R-free	0.24990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ldj
RMSD bond length	0.005
RMSD bond angle	0.861
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.289	2.460	2.260
High resolution limit [Å]	2.200	2.390	2.200
Rmeas	0.174	0.900	1.334
Number of reflections	26221	1727	1894
<I/σ(I)>	20
Completeness [%]	100.0
Redundancy	29.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2 M calcium chloride and 20% PEG3,350