5HET

The third PDZ domain from the synaptic protein PSD-95 (G330T 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	2012-07-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793686
Spacegroup name	P 41 3 2
Unit cell lengths	89.445, 89.445, 89.445
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.516 - 2.001
R-factor	0.1866
Rwork	0.184
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bfe
RMSD bond length	0.006
RMSD bond angle	0.835
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (dev_2026)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.516	2.126
High resolution limit [Å]	2.001	2.001
Rmerge	0.064
Number of reflections	8697
<I/σ(I)>	35.095	2.077
Completeness [%]	99.4
Redundancy	10	8.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	289	Reservoir solution contained 1.05 M sodium citrate, pH 7.0. Equal amounts (1.5 microliters) of protein (7 mg/mL) and reservoir solution were mixed and equillibrated against 500 microliters of crystallization buffer.