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1H9N

H119N CARBONIC ANHYDRASE II

Experimental procedure
Source typeROTATING ANODE
Source detailsRIGAKU RUH2R
Temperature [K]287
Detector technologyIMAGE PLATE
Collection date1995-09
DetectorRIGAKU RAXIS IIC
Spacegroup nameP 1 21 1
Unit cell lengths42.700, 41.700, 73.000
Unit cell angles90.00, 104.60, 90.00
Refinement procedure
Resolution20.000 - 1.850
R-factor0.17
Rwork0.170
R-free0.23000

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Structure solution methodDIFFERENCE FOURIER
Starting model (for MR)2CBA LESS MUTANT SIDE CHAIN AND SOLVENT MOLECULES
RMSD bond length0.009
RMSD bond angle25.400

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Data reduction softwareMOSFLM
Data scaling softwareCCP4
Phasing softwareX-PLOR
Refinement softwareX-PLOR
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0001.900
High resolution limit [Å]1.8501.850
Rmerge0.0740.236
Total number of observations73412

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Number of reflections19942
<I/σ(I)>72.9
Completeness [%]93.081
Redundancy3.72.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, sitting drop

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825

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2M (NH4)2SO4; 100 MM TRIS PH 8.0; 5 MM N-HEXYL BETA-D-GLUCOPYRANOSIDE
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein10 (mg/ml)
21dropTris-HCl50 (mM)
31dropammonium sulfate2.0-2.5 (M)
41reservoirTris-HCl50 (mM)
51reservoirammonium sulfate2.0-2.5 (M)
61reservoirn-hexyl beta-D-glucopyranoside10 (mM)

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