5NHC
Crystal structure of xylose isomerase from Piromyces E2 in complex with two Co2+ ions and xylulose
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 | 2015-03-12 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 79.249, 79.332, 91.359 |
| Unit cell angles | 115.72, 89.39, 116.87 |
Refinement procedure
| Resolution | 47.000 - 1.930 |
| R-factor | 0.15823 |
| Rwork | 0.157 |
| R-free | 0.18784 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | D_1200004044 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.380 |
| 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] | 47.000 | 1.970 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.078 | 0.293 |
| Rpim | 0.071 | 0.275 |
| Number of reflections | 122918 | 5065 |
| <I/σ(I)> | 10.9 | 2.9 |
| Completeness [%] | 94.3 | 79.3 |
| Redundancy | 2.8 | 2.4 |
| CC(1/2) | 0.991 | 0.750 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 294 | 13-15 % PEG3350, 10 mM CoCl2, 0.1 M Hepes pH 7.0 |
