3KBM
Room Temperature X-ray structure of D-Xylose Isomerase complexed with 2Cd(2+) co-factors and d12-D-alpha-glucose in the cyclic form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E DW |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-01-15 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 94.196, 99.430, 102.986 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| Rwork | 0.176 |
| R-free | 0.21130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xib |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.022 |
| 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] | 20.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 27223 | |
| Completeness [%] | 90.0 | 93.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.7 | 290 | 40mg/ml protein, 5mM CdCl2; 500mM d12-D-glucose, 30% (v/v) ammonium sulfate (sat.), batch, pH 7.7, temperature 290K |
