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1ZKN

Structure of PDE4D2-IBMX

Replaces:  1RKO
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 14-BM-C
Synchrotron siteAPS
Beamline14-BM-C
Temperature [K]100
Detector technologyCCD
Collection date2002-08-08
DetectorADSC QUANTUM 4
Spacegroup nameP 21 21 21
Unit cell lengths99.704, 111.703, 159.387
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution50.000 - 2.100
R-factor0.226
Rwork0.226
R-free0.26000
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)PDE4D2 CATALYTIC DOMAIN
RMSD bond length0.006
RMSD bond angle1.090
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.200
High resolution limit [Å]2.1002.100
Rmerge0.440
Number of reflections94246
<I/σ(I)>18.93.3
Completeness [%]91.064.4
Redundancy8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
17.5pH 7.50

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