7TVF

Crystal structure of the SHOC2-MRAS-PP1CA (SMP) complex to a resolution of 2.17 Angstrom

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979110
Spacegroup name	P 41 21 2
Unit cell lengths	129.938, 129.938, 326.795
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	101.700 - 2.170
R-factor	0.2002
Rwork	0.199
R-free	0.22590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1x1s 6dno
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	163.400	2.200
High resolution limit [Å]	2.170	2.170
Rmerge	0.137	2.007
Rpim	0.077	1.228
Number of reflections	148476	7129
<I/σ(I)>	8.5
Completeness [%]	99.9
Redundancy	7.9
CC(1/2)	0.997	0.340

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	Crystals originally grown in 15% PEG 1500, 0.1M MIB pH 4.2 (15mg/ml of SMP) were used to make seeds. Microseeded into a condition with a reservoir consisting of 17.8% PEG 3350, 136mM sodium sulfate with 1:10 dilution of seeds (7.5mg/ml of SMP) using a ratio of 200nl protein:133nl reservoir:67nl diluted seeds