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3DCC

Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties

Experimental procedure
実験手法SINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2008-04-01
DetectorRIGAKU RAXIS IV++
Wavelength(s)1.54178
Spacegroup nameP 1 21 1
格子定数 [Å]42.890, 41.900, 73.000
格子定数 [度]90.00, 104.61, 90.00
精密化法
残基20.000 - 1.600
Rwork0.146
R-free0.20600
Structure solution methodAB INITIO
Starting model (for MR)1moo
結合長の平均二乗偏差(RMSD) [Å]0.008
結合角の平均二乗偏差(RMSD) [度]0.024
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareSHELX
Refinement softwareSHELXL-97
Quality characteristics
 OverallOuter shell
分解能 [Å] (低)20.0001.660
分解能 [Å] (高)1.6001.600
独立反射数26650
完全性 [%]79.876.5
冗長性2.12.1
結晶化条件
結晶ID方法pH温度溶液条件
1VAPOR DIFFUSION, HANGING DROP92981.3M sodium citrate, 100mM Tris-HCl, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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件を2024-09-18に公開中

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