6ALZ

Crystal structure of Protein Phosphatase 1 bound to the natural inhibitor Tautomycetin

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	2016-02-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	66.199, 78.855, 133.779
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.816 - 2.208
R-factor	0.1858
Rwork	0.184
R-free	0.21580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mov
RMSD bond length	0.002
RMSD bond angle	0.562
Data reduction software	XDS
Data scaling software	Aimless (0.5.17)
Phasing software	PHASER (1.11.1)
Refinement software	PHENIX ((1.11.1_2575))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.822	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.118	0.814
Rmeas	0.127	0.927
Rpim	0.047	0.427
Number of reflections	35351	2260
<I/σ(I)>	8.9
Completeness [%]	97.5	72.9
Redundancy	7	4.2
CC(1/2)	0.996	0.503

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	20% PEG 6000, 1 M lithium chloride, 0.1 M Tris pH 8.0