6EXJ

PDZ domain from rat Shank3 bound to the C terminus of somatostatin receptor subtype 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-27
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	42.850, 43.300, 78.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.944 - 1.800
R-factor	0.2296
Rwork	0.225
R-free	0.27390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ovc
RMSD bond length	0.020
RMSD bond angle	1.601
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.850
High resolution limit [Å]	1.800	1.800
Rmeas	0.071	2.515
Number of reflections	14124	1020
<I/σ(I)>	13.8	0.7
Completeness [%]	99.9	99.6
Redundancy	6.2	6.3
CC(1/2)	0.999	0.540

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	2 M ammonium sulphate, 0.2 M NaCl, 0.1 M MES