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1EWL

CRYSTAL STRUCTURE OF CRUZAIN BOUND TO WRR-99

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Temperature [K]298
Detector technologyIMAGE PLATE
Collection date1997-02-25
DetectorRIGAKU RAXIS IV
Spacegroup nameP 1 21 1
Unit cell lengths43.095, 51.648, 45.257
Unit cell angles90.00, 114.92, 90.00
Refinement procedure
Resolution22.000 - 2.000
R-factor0.171
Rwork0.171
R-free0.23300
RMSD bond length0.011
RMSD bond angle2.600
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareX-PLOR (3.843)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]22.0002.070
High resolution limit [Å]2.0002.000
Rmerge0.0850.169
Number of reflections11856
<I/σ(I)>8.1
Completeness [%]96.295.1
Redundancy2.22.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.252920.9M NaCitrate, pH 6.25, VAPOR DIFFUSION, HANGING DROP, temperature 292K

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