5OVV

PDZ domain from rat Shank3 bound to the C terminus of ProSAPiP1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	C 2 2 21
Unit cell lengths	56.570, 85.910, 46.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.955 - 1.400
R-factor	0.1573
Rwork	0.155
R-free	0.19680
RMSD bond length	0.010
RMSD bond angle	1.096
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.440
High resolution limit [Å]	1.400	1.400
Rmeas	0.218	2.177
Number of reflections	22464	1644
<I/σ(I)>	8.2
Completeness [%]	99.8	99.2
Redundancy	12.6	11.5
CC(1/2)	0.996	0.333

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Sodium thiocyanate 200 mM, 23% PEG3350