5OVC

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	51.550, 51.550, 81.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.608 - 1.550
R-factor	0.177
Rwork	0.175
R-free	0.20710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.617
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	1.590
High resolution limit [Å]	1.550	1.550
Rmeas	0.126	3.628
Number of reflections	30593	2244
<I/σ(I)>	22.1
Completeness [%]	99.9	99.9
Redundancy	6.7	6
CC(1/2)	0.999	0.132

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.6M sodium citrate pH 6.5