7XTY

Crystal Structure of the second PDZ domain from human PTPN13 in complex with APC 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	2021-07-18
Detector	SIEMENS-NICOLET
Wavelength(s)	0.97853
Spacegroup name	C 1 2 1
Unit cell lengths	97.462, 32.407, 69.917
Unit cell angles	90.00, 108.86, 90.00

Refinement procedure

Resolution	33.140 - 2.100
R-factor	0.1983
Rwork	0.194
R-free	0.24020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lny
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.173	0.126	0.374
Rmeas	0.189	0.139	0.419
Rpim	0.074	0.056	0.186
Total number of observations	72771
Number of reflections	12152	670	562
<I/σ(I)>	3.1
Completeness [%]	98.0	100	87.4
Redundancy	6	6.2	4.2
CC(1/2)		0.978	0.883

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.8	289	0.1M citric acid (pH 3.5), 3M NaCl