6ZK6

Protein Phosphatase 1 (PP1) T320E mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-30
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 2 21 21
Unit cell lengths	38.546, 68.749, 127.846
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.220 - 1.900
R-factor	0.1611
Rwork	0.159
R-free	0.19440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6g0j
RMSD bond length	0.011
RMSD bond angle	1.185
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.220	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.057	0.744
Rmeas	0.066	0.866
Rpim	0.033	0.433
Number of reflections	26672	1722
<I/σ(I)>	11	1.5
Completeness [%]	97.3	98.9
Redundancy	3.4
CC(1/2)	0.999	0.603

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	PEG 3350, TRIS , lithium chloride