8GWH

PTPN21 PTP domain C1108S mutant in complex with SRC pTyr530 peptide

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	2020-11-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97875
Spacegroup name	P 43 21 2
Unit cell lengths	104.545, 104.545, 71.868
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.750 - 2.000
R-factor	0.1824
Rwork	0.181
R-free	0.20970
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]	46.750	2.071
High resolution limit [Å]	2.000	2.000
Rmerge	0.119	0.929
Rpim	0.033	0.248
Number of reflections	51259	2693
<I/σ(I)>	14.13
Completeness [%]	99.6
Redundancy	14.3
CC(1/2)	0.993	0.921

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	278	sodium acetate, PEG 4000