5HDY

The third PDZ domain from the synaptic protein PSD-95

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	2012-12-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	P 41 3 2
Unit cell lengths	89.657, 89.657, 89.657
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.096 - 1.801
R-factor	0.1899
Rwork	0.186
R-free	0.21980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bfe
RMSD bond length	0.010
RMSD bond angle	1.161
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]	40.096	1.866
High resolution limit [Å]	1.801	1.801
Rmerge	0.350
Number of reflections	11131
<I/σ(I)>	52.621	1.313
Completeness [%]	93.2
Redundancy	9.1	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.9	289	Equal amounts (1.5 microliters) of protein (9 mg/mL) and reservoir solution were mixed and equillibrated against microliters of crystallization buffer (1.0 M sodium citrate) at 289 K. Diamond-shaped crystals appeared either spontaneously or with microseeding after 1-5 days and grew to 100-200 microns in length over several weeks.