5NHD
Crystal structure of xylose isomerase from Piromyces E2 in complex with 2 Ni2+ ions and xylose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR-H |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2014-10-09 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 78.719, 79.040, 92.010 |
| Unit cell angles | 115.14, 90.36, 117.01 |
Refinement procedure
| Resolution | 39.400 - 1.800 |
| R-factor | 0.15455 |
| Rwork | 0.153 |
| R-free | 0.17478 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | D_1200004044 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.370 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.400 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.088 | 0.491 |
| Rpim | 0.067 | 0.361 |
| Number of reflections | 146916 | 7031 |
| <I/σ(I)> | 8 | 1.9 |
| Completeness [%] | 91.4 | 87.3 |
| Redundancy | 3.8 | 3.8 |
| CC(1/2) | 0.993 | 0.719 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 294 | 13-15 % PEG3350, 10 mM NiCl2, 0.1 M Hepes pH 7.0 |
