7L4I

Crystal structure of a substrate-trapping variant of PPM1H phosphatase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979279
Spacegroup name	P 21 21 21
Unit cell lengths	70.688, 101.105, 148.974
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.970 - 2.580
R-factor	0.1921
Rwork	0.190
R-free	0.23570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6b67
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.970	2.700
High resolution limit [Å]	2.580	2.580
Rmerge	0.093	0.651
Rmeas	0.101	0.707
Rpim	0.039	0.272
Total number of observations	224906
Number of reflections	34086	3998
<I/σ(I)>	13.6
Completeness [%]	99.5	96.9
Redundancy	6.6	6.5
CC(1/2)	0.998	0.879

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298	30% PEG 1500