5NHA
Crystal structure of xylose isomerase from Piromyces sp. E2 in complex with two Mn2+ ions and sorbitol
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 | 2015-03-09 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 78.961, 79.407, 91.284 |
| Unit cell angles | 115.67, 89.44, 116.92 |
Refinement procedure
| Resolution | 46.900 - 1.800 |
| R-factor | 0.15674 |
| Rwork | 0.155 |
| R-free | 0.18141 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | D_1200004044 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.477 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.900 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.094 | 0.482 |
| Rpim | 0.068 | 0.378 |
| Number of reflections | 151276 | 6329 |
| <I/σ(I)> | 11.6 | 2.1 |
| Completeness [%] | 93.6 | 79.6 |
| Redundancy | 3.9 | 3.2 |
| CC(1/2) | 0.995 | 0.583 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 294 | 13-15 % PEG3350, 10 mM MnCl2, 0.1 M Hepes pH 7.0 |
