8GVV

PTPN21 PTP domain C1108S mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97915
Spacegroup name	C 1 2 1
Unit cell lengths	80.382, 56.433, 72.099
Unit cell angles	90.00, 111.90, 90.00

Refinement procedure

Resolution	24.350 - 1.800
R-factor	0.1923
Rwork	0.190
R-free	0.22730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bzl
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20rc1_4392)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.350	1.864
High resolution limit [Å]	1.800	1.800
Rmerge	0.052	0.354
Rpim	0.022	0.156
Number of reflections	54178	2524
<I/σ(I)>	22.44
Completeness [%]	99.8
Redundancy	6.6
CC(1/2)	0.999	0.957

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	278	PEG 3350, 250 mM Sodium iodide