5NH7
Crystal structure of xylose isomerase from Piromyces E2 in complex with two Mg2+ 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 | 2014-11-03 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 78.600, 79.280, 91.969 |
| Unit cell angles | 115.40, 89.91, 117.13 |
Refinement procedure
| Resolution | 39.500 - 1.900 |
| R-factor | 0.15381 |
| Rwork | 0.153 |
| R-free | 0.17572 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | D_1200004044 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.322 |
| 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] | 39.500 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.093 | 0.354 |
| Rpim | 0.089 | 0.338 |
| Number of reflections | 125669 | 5765 |
| <I/σ(I)> | 6.1 | 2 |
| Completeness [%] | 92.0 | 84.7 |
| Redundancy | 2 | 2 |
| CC(1/2) | 0.985 | 0.746 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 294 | 13-15 % PEG3350, 10 mM MgCl2, 0.1 M Hepes pH 7.0 |
