3DC3
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 type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-04-01 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54178 |
Spacegroup name | P 1 21 1 |
格子定数 [Å] | 42.910, 41.840, 72.910 |
格子定数 [度] | 90.00, 104.48, 90.00 |
精密化法
残基 | 20.000 - 1.700 |
Rwork | 0.141 |
R-free | 0.19300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1moo |
結合長の平均二乗偏差(RMSD) [Å] | 0.007 |
結合角の平均二乗偏差(RMSD) [度] | 0.024 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELX |
Refinement software | SHELXL-97 |
Quality characteristics
Overall | Outer shell | |
分解能 [Å] (低) | 20.000 | 1.760 |
分解能 [Å] (高) | 1.700 | 1.700 |
独立反射数 | 26697 | |
完全性 [%] | 96.0 | 93.4 |
冗長性 | 3.1 | 3.1 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 298 | 1.3M sodium citrate, 100mM Tris-HCl, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |