8SW5

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 41 21 2
Unit cell lengths	92.876, 92.876, 200.107
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.360 - 2.390
R-factor	0.2121
Rwork	0.210
R-free	0.25160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.675
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]	38.360	2.480
High resolution limit [Å]	2.390	2.390
Rmerge	0.100	1.869
Rmeas	0.103	1.960
Rpim	0.025	0.570
Total number of observations	593152	34537
Number of reflections	35238	3111
<I/σ(I)>	17.6	1.2
Completeness [%]	98.4
Redundancy	16.8	11.1
CC(1/2)	0.999	0.569

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.6	289	1 M ammonium dihydrogen phosphate, 100 mM tri-sodium citrate, pH 5.6