7LC1

Crystal Structure of KRAS4b (GMPPNP-bound) in complex with the RBD-PH domains of SIN1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	42.760, 97.070, 96.620
Unit cell angles	90.00, 92.32, 90.00

Refinement procedure

Resolution	48.540 - 2.350
R-factor	0.2344
Rwork	0.231
R-free	0.27920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3voq
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.540	48.540	2.490
High resolution limit [Å]	2.350	10.300	2.350
Rmerge	0.074	0.032	0.853
Rmeas	0.088	0.038	1.012
Total number of observations	109727
Number of reflections	32468	408	5198
<I/σ(I)>	10.16	27.4	1.81
Completeness [%]	98.6	98.8	99.3
Redundancy	3.38	3.311	3.437
CC(1/2)	0.997	0.998	0.678

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	200 mM ammonium sulfate, 100 mM HEPES (N-2-hydroxyethyl piperazine-N-ethane sulfonic acid) pH 7.5, 25% PEG 3350