5NH8
Crystal structure of xylose isomerase from Piromyces E2 in complex with two Ca2+ 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 | 2015-02-25 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 78.764, 79.337, 91.926 |
| Unit cell angles | 115.41, 89.91, 117.16 |
Refinement procedure
| Resolution | 46.700 - 1.860 |
| R-factor | 0.17712 |
| Rwork | 0.176 |
| R-free | 0.20136 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | D_1200004044 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.238 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.700 | 1.890 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.090 | 0.488 |
| Rpim | 0.071 | 0.384 |
| Number of reflections | 136386 | 5443 |
| <I/σ(I)> | 10.6 | 2.1 |
| Completeness [%] | 92.6 | 75.7 |
| Redundancy | 4 | 3.2 |
| CC(1/2) | 0.995 | 0.602 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 294 | 13-15 % PEG3350, 10 mM CaCl2, 0.1 M Hepes pH 7.0 |
