8SLT

Crystal structure of human STEP (PTPN5) at physiological temperature (310 K) and ambient pressure (0.1 MPa)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE 7B2
Synchrotron site	CHESS
Beamline	7B2
Temperature [K]	310
Detector technology	PIXEL
Collection date	2020-10-30
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	39.976, 64.492, 137.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	68.610 - 1.960
R-factor	0.1761
Rwork	0.174
R-free	0.20570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.404
Data reduction software	DIMPLE (v2.6.1)
Data scaling software	xia2
Phasing software	DIMPLE (v2.6.1)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.610	2.028
High resolution limit [Å]	1.960	1.960
Rmerge	0.170	2.398
Rmeas	0.184	2.593
Rpim	0.071	0.976
Number of reflections	26353	2573
<I/σ(I)>	7.79	0.63
Completeness [%]	99.8	99.03
Redundancy	6.7	6.9
CC(1/2)	0.996	0.358

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293.15	30% PEG 3350, 200 mM Li2SO4, 100 mM bis-tris pH 5.5