5OVP

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

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	2016-05-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.000
Spacegroup name	P 32 1 2
Unit cell lengths	32.090, 32.090, 150.220
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.791 - 1.500
R-factor	0.1954
Rwork	0.193
R-free	0.23550
RMSD bond length	0.011
RMSD bond angle	1.038
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	1.540
High resolution limit [Å]	1.500	1.500
Rmeas	0.095	2.457
Number of reflections	14688	1055
<I/σ(I)>	15.4
Completeness [%]	99.7	98.4
Redundancy	10.7	10
CC(1/2)	1.000	0.557

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M HEPES pH 7.5, 2% PEG 400, 2 M ammonium sulphate