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1BNW

CARBONIC ANHYDRASE II INHIBITOR

Experimental procedure
Source typeROTATING ANODE
Source detailsRIGAKU RUH2R
Temperature [K]298
Detector technologyAREA DETECTOR
Collection date1993-11
DetectorSIEMENS
Spacegroup nameP 1 21 1
Unit cell lengths42.700, 41.700, 73.000
Unit cell angles90.00, 104.60, 90.00
Refinement procedure
Resolution6.500 - 2.250
R-factor0.145
Rwork0.145
Structure solution methodOTHER
Starting model (for MR)1CBA
RMSD bond length0.012
RMSD bond angle26.100

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Data reduction softwareBUDDHA
Data scaling softwarePROTEIN
Phasing softwareX-PLOR
Refinement softwareX-PLOR
Data quality characteristics
 Overall
Low resolution limit [Å]6.500
High resolution limit [Å]2.250
Rmerge0.088
Total number of observations22136

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Number of reflections10407
Completeness [%]80.2
Redundancy2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, sitting drop

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8

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pH 10.0
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropenzyme6.7-7.4 (mg/ml)
21dropTris-HCl50 (mM)
31reservoirTris-HCl50 (mM)
41reservoirammonium sulfate1.75-2.50 (M)

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