7KPR

Structure of wild-type PPM1H phosphatase at 3.1 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-22
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	69.684, 102.160, 148.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.780 - 3.090
R-factor	0.1969
Rwork	0.196
R-free	0.22030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6b67
RMSD bond length	0.005
RMSD bond angle	0.964
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.780	3.200
High resolution limit [Å]	3.090	3.090
Rmerge	0.070	0.770
Rmeas	0.076	0.840
Number of reflections	19927	1853
<I/σ(I)>	19.83	2.34
Completeness [%]	99.3
Redundancy	6.7
CC(1/2)	0.999	0.855

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	290	10% isopropanol, 5% PEG4000, 0.05M MgCl2