5NH9
Crystal structure of xylose isomerase from Piromyces E2 in complex with two Mn2+ 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 | 2014-09-23 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5148 |
| Spacegroup name | P 1 |
| Unit cell lengths | 78.690, 79.400, 92.080 |
| Unit cell angles | 115.37, 90.04, 117.07 |
Refinement procedure
| Resolution | 46.700 - 2.080 |
| R-factor | 0.16959 |
| Rwork | 0.168 |
| R-free | 0.20266 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | D_1200004044 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.368 |
| 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] | 46.700 | 2.100 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Rmerge | 0.110 | 0.435 |
| Rpim | 0.095 | 0.361 |
| Number of reflections | 98185 | 3119 |
| <I/σ(I)> | 9.3 | 2.7 |
| Completeness [%] | 92.4 | 59.7 |
| Redundancy | 3.9 | 2.9 |
| CC(1/2) | 0.981 | 0.584 |
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 |
