4QE4
Room temperature X-ray structure of D-xylose isomerase in complex with two Ni2+ ions and L-ribulose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 291 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-02-18 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 93.876, 99.630, 102.968 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.700 |
| R-factor | 0.1467 |
| Rwork | 0.150 |
| R-free | 0.18010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.026 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 40.000 |
| High resolution limit [Å] | 1.700 |
| Number of reflections | 50450 |
| Completeness [%] | 94.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | batch | 7.7 | 291 | 30% ammonium sulfate, 0.1M HEPES ph 7.7, batch, temperature 291K |
