5NHB
Crystal structure of xylose isomerase from Piromyces E2 in complex with two Fe2+ ions
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 | 2014-10-07 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 79.539, 79.510, 92.230 |
| Unit cell angles | 115.57, 89.96, 116.69 |
Refinement procedure
| Resolution | 45.300 - 2.400 |
| R-factor | 0.24648 |
| Rwork | 0.245 |
| R-free | 0.28185 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | D_1200004044 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.422 |
| 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] | 45.300 | 2.460 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.148 | 0.490 |
| Rpim | 0.127 | 0.386 |
| Number of reflections | 59313 | 4141 |
| <I/σ(I)> | 5.9 | 2.1 |
| Completeness [%] | 85.8 | 81.1 |
| Redundancy | 3.5 | 3.3 |
| CC(1/2) | 0.963 | 0.670 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 294 | 13-15 % PEG3350, 0.1 M FeSO4, 0.1 M Hepes pH 7.0 |
