8SLS

Crystal structure of human STEP (PTPN5) at cryogenic temperature (100 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]	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	39.666, 63.508, 135.156
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.580 - 1.710
R-factor	0.1932
Rwork	0.192
R-free	0.22440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.204
Data reduction software	DIMPLE (v2.6.1)
Data scaling software	xia2 (3.5.0)
Phasing software	DIMPLE (v2.6.1)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.580	1.772
High resolution limit [Å]	1.710	1.711
Rmerge	0.108	2.370
Rmeas	0.122	2.621
Rpim	0.055	1.106
Number of reflections	37552	3655
<I/σ(I)>	10.23	0.59
Completeness [%]	98.6	93.42
Redundancy	4.7	4.8
CC(1/2)	0.960	0.374

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