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6H36

The crystal structure of human carbonic anhydrase VII in complex with 4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide.

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU MICROMAX-007 HF
Temperature [K]100
Detector technologyCCD
Collection date2018-03-13
DetectorRIGAKU SATURN 944
Wavelength(s)1.54178
Spacegroup nameP 21 21 2
Unit cell lengths66.020, 88.070, 43.960
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution31.100 - 1.850
Rwork0.195
R-free0.23300
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)6g4t
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareCNS (1.3)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]31.1001.920
High resolution limit [Å]1.8501.850
Rmerge0.0670.495
Rmeas0.0740.624
Rpim0.0320.375
Number of reflections21202
<I/σ(I)>182.2
Completeness [%]94.188.9
Redundancy4.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8.529325% v/v Peg3350, 0.2 M Ammonium acetate, 0.1 M Tris-HCl pH 8.5

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