5JXB

PSD-95 extended PDZ3 in complex with SynGAP PBM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97950
Spacegroup name	C 2 2 21
Unit cell lengths	70.286, 71.094, 115.791
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.890 - 2.900
R-factor	0.2411
Rwork	0.241
R-free	0.28740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1be9
RMSD bond length	0.017
RMSD bond angle	1.867
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.900
Number of reflections	6680
<I/σ(I)>	43.3
Completeness [%]	99.2
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	289	0.1M HEPES sodium pH 7.5, 10% v/v 2-Propanol, 20% w/v Polyethylene glycol 4000