8SLU

Crystal structure of human STEP (PTPN5) at cryogenic temperature (100 K) and high pressure (205 MPa)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE 7B2
Synchrotron site	CHESS
Beamline	7B2
Temperature [K]	100
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	39.143, 63.466, 134.198
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.370 - 1.840
R-factor	0.197
Rwork	0.195
R-free	0.23660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.241
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]	57.370	1.906
High resolution limit [Å]	1.840	1.840
Rmerge	0.114	2.127
Rmeas	0.124	2.308
Rpim	0.048	0.888
Number of reflections	29880	2949
<I/σ(I)>	10.71	0.64
Completeness [%]	99.5	99.12
Redundancy	6.6	6.6
CC(1/2)	0.998	0.687

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.65	293.15	30% PEG 3350, 200 mM Li2SO4, 100 mM bis-tris pH 5.65