5HFD

The third PDZ domain from the synaptic protein PSD-95 (G330T, H372A double mutant)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793144
Spacegroup name	P 41 3 2
Unit cell lengths	89.281, 89.281, 89.281
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.233 - 1.600
R-factor	0.1827
Rwork	0.181
R-free	0.19680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bfe
RMSD bond length	0.014
RMSD bond angle	1.257
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.10pre_2104)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.233	1.647
High resolution limit [Å]	1.600	1.600
Rmerge	0.043
Number of reflections	16618
<I/σ(I)>	63.192	2.111
Completeness [%]	99.8
Redundancy	15.4	15.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	289	Reservoir solution contained 1 M sodium citrate, pH 7.0. Equal amounts (1.5 microliters) of protein (13 mg/mL) and reservoir solution were mixed and equillibrated against 500 microliters of crystallization buffer.