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5HDY

The third PDZ domain from the synaptic protein PSD-95

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 19-ID
Synchrotron siteAPS
Beamline19-ID
Temperature [K]100
Detector technologyCCD
Collection date2012-12-13
DetectorADSC QUANTUM 315r
Wavelength(s)0.97918
Spacegroup nameP 41 3 2
Unit cell lengths89.657, 89.657, 89.657
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution40.096 - 1.801
R-factor0.1899
Rwork0.186
R-free0.21980
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1bfe
RMSD bond length0.010
RMSD bond angle1.161
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHENIX
Refinement softwarePHENIX (1.10pre_2104)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]40.0961.866
High resolution limit [Å]1.8011.801
Rmerge0.350
Number of reflections11131
<I/σ(I)>52.6211.313
Completeness [%]93.2
Redundancy9.18.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.9289Equal 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.

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