2GUB
Crystal Structure of Metal Free D-Xylose Isomerase.
Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 279 |
Detector technology | AREA DETECTOR |
Collection date | 1995-11-15 |
Detector | SIEMENS-NICOLET X100 |
Wavelength(s) | 1.5418 |
Spacegroup name | I 2 2 2 |
格子定数 [Å] | 93.800, 99.500, 102.800 |
格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
残基 | 70.710 - 1.800 |
R因子 | 0.16124 |
Rwork | 0.160 |
R-free | 0.19327 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1XIB without metal ions and solvent |
結合長の平均二乗偏差(RMSD) [Å] | 0.020 |
結合角の平均二乗偏差(RMSD) [度] | 1.739 |
Data reduction software | DATCOL |
Data scaling software | XDS |
Refinement software | REFMAC (5.2.0005) |
Quality characteristics
Overall | Outer shell | |
分解能 [Å] (低) | 70.710 | 1.900 |
分解能 [Å] (高) | 1.800 | 1.800 |
独立反射数 | 40569 | |
完全性 [%] | 0.8 | 86.6 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | SMALL TUBES | 8 | 279 | Crystallization from solution containing metal free enzyme at 20 mg/ml, 0.8M AmSO4, 2mM Pipes. Crystallization occurred over 2 day period in sealed tubes., pH 8.0, SMALL TUBES, temperature 279K |