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3T5Z

Crystal structure of the human carbonic anhydrase II in complex with N-methoxy-benzenesulfonamide

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU
Temperature [K]100
Detector technologyCCD
Collection date2011-02-08
DetectorRIGAKU SATURN
Wavelength(s)1.5418
Spacegroup nameP 1 21 1
Unit cell lengths42.110, 41.320, 71.840
Unit cell angles90.00, 104.32, 90.00
Refinement procedure
Resolution20.000 - 1.650
Rwork0.179
R-free0.21110
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)1ca2
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareCNS
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0001.710
High resolution limit [Å]1.6501.650
Rmerge0.0430.061
Number of reflections28042
<I/σ(I)>21.0313.45
Completeness [%]96.487.6
Redundancy2.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8.52932.6 M ammonium sulfate, 0.3 M sodium chloride, 0.1 M Tris-HCl, pH 8.5, 5 mM 4-hydroxymercurybenzoate, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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