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4MRZ

Crystal structure of PDE10A2 with fragment ZT0429 (4-methyl-3-nitropyridin-2-amine)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsCLSI BEAMLINE 08ID-1
Synchrotron siteCLSI
Beamline08ID-1
Temperature [K]100
Detector technologyCCD
Collection date2011-05-31
DetectorRAYONIX MX-300
Wavelength(s)0.9795
Spacegroup nameP 21 21 21
Unit cell lengths51.140, 82.133, 154.745
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution43.410 - 1.580
R-factor0.20797
Rwork0.206
R-free0.23574
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2our
RMSD bond length0.011
RMSD bond angle1.226
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareMOLREP
Refinement softwareREFMAC (5.5.0072)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.640
High resolution limit [Å]1.5801.580
Rmerge0.0540.583
Number of reflections89781
<I/σ(I)>24.22.4
Completeness [%]99.699.2
Redundancy4.64.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.527718% PEG 4450, 0.2M calcium acetate, 50mM BME, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

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