8T2J

Structure of the catalytic domain of PPM1D/Wip1 serine/threonine phosphatase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	49.664, 59.930, 49.566
Unit cell angles	90.00, 92.13, 90.00

Refinement procedure

Resolution	25.650 - 1.800
R-factor	0.1764
Rwork	0.175
R-free	0.21920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.316
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	8.050	1.850
High resolution limit [Å]	1.800	5.690	1.800
Rmerge	0.066	0.053	0.491
Rmeas	0.071	0.058	0.532
Number of reflections	26792	557	2010
<I/σ(I)>	15.75
Completeness [%]	98.9
Redundancy	4.67
CC(1/2)	0.998	0.996	0.911

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	100 mM HEPES pH 7.5, 10% (w/v) PEG 3000, 20% PEG 400 (v/v), and 10% glycerol (v/v)