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 |
