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2WWP

Crystal structure of the human lipocalin-type prostaglandin D synthase

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I03
Synchrotron siteDiamond
BeamlineI03
Temperature [K]100
Detector technologyCCD
Collection date2009-10-23
DetectorMARRESEARCH
Spacegroup nameP 1 21 1
Unit cell lengths36.400, 56.590, 73.460
Unit cell angles90.00, 90.15, 90.00
Refinement procedure
Resolution32.650 - 2.000
R-factor0.21
Rwork0.208
R-free0.24600
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2czt
RMSD bond length0.009
RMSD bond angle1.104
Data reduction softwareiMOSFLM
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwareREFMAC (5.5.0102)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]32.6502.110
High resolution limit [Å]2.0002.000
Rmerge0.1250.460
Number of reflections20007
<I/σ(I)>7.82.8
Completeness [%]98.389.8
Redundancy3.43
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1720% PEG3350, 0.2 M SODIUM THIOCYANATE, pH 7

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