5NH5
Crystal structure of native xylose isomerase from Piromyces E2
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 | 2014-06-03 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 |
| Unit cell lengths | 78.720, 79.360, 92.210 |
| Unit cell angles | 115.33, 90.31, 117.00 |
Refinement procedure
| Resolution | 41.200 - 1.800 |
| R-factor | 0.12406 |
| Rwork | 0.123 |
| R-free | 0.14782 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a0c 1a0d 1a0e |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.488 |
| 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] | 41.200 | 1.820 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.045 | 0.230 |
| Rpim | 0.230 | |
| Number of reflections | 150673 | 5390 |
| <I/σ(I)> | 20.6 | 4.9 |
| Completeness [%] | 92.3 | 66.7 |
| Redundancy | 3.9 | 3.2 |
| CC(1/2) | 0.998 | 0.905 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 294 | 13-16 % PEG3350, HEPES pH 7 |
