7N0Z

Structure of PPM1H phosphatase with manganese ions at the active site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	70.779, 101.159, 148.946
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.930 - 2.190
R-factor	0.1962
Rwork	0.195
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7l4j
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	63.930	63.930	2.260
High resolution limit [Å]	2.190	9.310	2.190
Rmerge	0.090	0.037	1.007
Rmeas	0.098	0.041	1.091
Rpim	0.038	0.016	0.415
Number of reflections	365198	840	4153
<I/σ(I)>	12.7
Completeness [%]	99.3	99.9	93.6
Redundancy	6.7	6	6.7
CC(1/2)	0.998	0.998	0.755

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	298	100mM Tris-Cl 15% reagent alcohol 10mM MnCl2