2GUB
Crystal Structure of Metal Free D-Xylose Isomerase.
Experimental procedure
Experimental method | 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 |
Unit cell lengths | 93.800, 99.500, 102.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 70.710 - 1.800 |
R-factor | 0.16124 |
Rwork | 0.160 |
R-free | 0.19327 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1XIB without metal ions and solvent |
RMSD bond length | 0.020 |
RMSD bond angle | 1.739 |
Data reduction software | DATCOL |
Data scaling software | XDS |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.710 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 40569 | |
Completeness [%] | 0.8 | 86.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
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 |