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 |