8DWK

Inhibitor-3:PP1 reconstituted complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 41 21 2
Unit cell lengths	91.373, 91.373, 196.396
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.090 - 2.500
R-factor	0.2142
Rwork	0.213
R-free	0.23810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mov
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.280	39.280	2.600
High resolution limit [Å]	2.500	9.010	2.500
Rmerge		0.051
Number of reflections	29709	747	3257
<I/σ(I)>	10.6
Completeness [%]	99.9
Redundancy	12.1
CC(1/2)	0.996	0.999	0.651

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	10% w/v PEG 8000, 20% v/v ethylene glycol, 0.1 M bicine/Trizma base pH 8.5, 0.03 M diethyleneglycol, 0.03 M triethyleneglycol, 0.03 M tetraethyleneglycol, 0.03 M pentaethyleneglycol