9HAB

Crystal structure of a chimeric PPM1H phosphatase with the flap domain of PPM1J

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	2021-09-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 41 21 2
Unit cell lengths	110.093, 110.093, 87.597
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	77.850 - 2.860
R-factor	0.2439
Rwork	0.242
R-free	0.27560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond angle	17.645
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	110.090	3.010
High resolution limit [Å]	2.860	2.860
Rmerge	0.099	2.215
Rmeas	0.104	2.305
Rpim	0.029	0.632
Total number of observations		24178
Number of reflections	12945	1848
<I/σ(I)>	16.9	1.3
Completeness [%]	100.0
Redundancy	13	13.1
CC(1/2)	0.999	0.496

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		290	30% isopropanol