7L4J

Crystal structure of WT 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	2019-11-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979354
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	28.966 - 2.451
R-factor	0.1927
Rwork	0.190
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6b67
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.970	2.540
High resolution limit [Å]	2.450	2.450
Rmerge	0.080	0.781
Rmeas	0.086	0.855
Rpim	0.033	0.321
Number of reflections	74295	3324
<I/σ(I)>	14.6
Completeness [%]	99.1
Redundancy	6.7
CC(1/2)	0.998	0.779

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		288	0.1M imidazole 20% jeffamine ED-2001