4XHV

Crystal structure of Drosophila Spinophilin-PDZ and a C-terminal peptide of Neurexin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-08-23
Detector	RAYONIX MX-225
Wavelength(s)	0.91841
Spacegroup name	P 43 21 2
Unit cell lengths	45.302, 45.302, 94.533
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.033 - 1.230
R-factor	0.139
Rwork	0.138
R-free	0.16220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3egg
RMSD bond length	0.016
RMSD bond angle	1.628
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.300	1.300
High resolution limit [Å]	1.230	1.230
Rmerge	0.055	0.611
Number of reflections	29395
<I/σ(I)>	21.6	2.4
Completeness [%]	99.7	98.5
Redundancy	6.1	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	0.1 M Tris-HCl at pH 8.5 adjusted at RT, 0.01 M nickel chloride, 20% (w/v) PEG 2000 MME