4OAJ

Crystal structure of the complex between SAP97 PDZ2 and 5HT2A receptor peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-12-12
Detector	PSI PILATUS 6M
Wavelength(s)	0.970000
Spacegroup name	P 32 2 1
Unit cell lengths	45.000, 45.000, 88.110
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.189 - 2.300
R-factor	0.2079
Rwork	0.205
R-free	0.25420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.103
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.189	2.350
High resolution limit [Å]	2.300	2.300
Number of reflections	4904
<I/σ(I)>	17.71	3.76
Completeness [%]	99.5	97.7
Redundancy	8.85	8.64

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	3.2M Ammonium Sulfate, 0.1M Citric Acid pH4.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K