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3DC9

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
DetectorRIGAKU RAXIS IV++
Wavelength(s)1.54178
Spacegroup nameP 1 21 1
格子定数 [Å]42.810, 41.750, 72.790
格子定数 [度]90.00, 104.48, 90.00
精密化法
残基19.030 - 1.600
Rwork0.151
R-free0.20000
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]0.026
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31389
完全性 [%]94.991.4
冗長性3
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

217705

件を2024-03-27に公開中

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