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4QEF

Human Carbonic Anhydrase II V207I - cyanate inhibitor complex

Replaces:  4GGE
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RUH3R
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2011-04-02
DetectorRIGAKU RAXIS IV++
Wavelength(s)1.5418
Spacegroup nameP 1 21 1
Unit cell lengths42.356, 41.463, 72.461
Unit cell angles90.00, 104.39, 90.00
Refinement procedure
Resolution35.699 - 1.469
R-factor0.1247
Rwork0.123
R-free0.15810
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.008
RMSD bond angle1.230
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwarePHENIX
Refinement softwarePHENIX ((phenix.refine: 1.8.3_1479))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.510
High resolution limit [Å]1.4701.470
Number of reflections38496
Completeness [%]92.286
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP82981.3 M Sodium Citrate, 50 mM Tris pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

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