3KBW
Room temperature X-ray mixed-metal structure of D-Xylose Isomerase in complex with Ni(2+) and Mg(2+) co-factors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-08-26 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 93.972, 99.701, 102.855 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.600 |
| R-factor | 0.1192 |
| R-free | 0.16650 |
| Structure solution method | AB INITIO |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.029 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | SHELX |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 1.650 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 50014 | |
| Completeness [%] | 80.0 | 95 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | batch | 7.7 | 290 | 40mg/ml protein, 2mM NiCl2, 2mM MgCl2, 30% (v/v) ammonium sulfate (sat.), pH 7.7, batch, temperature 290K |
