8SW6

Protein Phosphatase 1 in complex with PP1-specific Phosphatase targeting peptide (PhosTAP) version 3

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	2018-01-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 41 21 2
Unit cell lengths	92.004, 92.004, 199.581
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.590 - 1.760
R-factor	0.1753
Rwork	0.175
R-free	0.20790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.951
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.1-4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.590	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.072	1.254
Rmeas	0.074	1.315
Rpim	0.019	0.358
Total number of observations	1407248	69627
Number of reflections	85929	4425
<I/σ(I)>	21.9	1.7
Completeness [%]	98.7
Redundancy	16.4	15.7
CC(1/2)	0.968	0.939

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	289	0.1 M HEPES, pH 7.0, 0.1 M lithium sulfate, 30% w/v polyvinylpyrrolidone