5NH6
Crystal structure of xylose isomerase from Piromyces E2 Complexed with one Mg2+ ion and xylitol
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 | 2014-09-24 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 78.820, 79.340, 91.800 |
| Unit cell angles | 115.42, 90.18, 116.72 |
Refinement procedure
| Resolution | 36.100 - 1.750 |
| R-factor | 0.14087 |
| Rwork | 0.140 |
| R-free | 0.16079 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | D_1200004044 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.333 |
| 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] | 36.100 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.066 | 0.431 |
| Rpim | 0.047 | 0.316 |
| Number of reflections | 163788 | 7762 |
| <I/σ(I)> | 14 | 2.9 |
| Completeness [%] | 93.3 | 79.2 |
| Redundancy | 4 | 4 |
| CC(1/2) | 0.998 | 0.792 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 294 | 13-15 % PEG 3350, 10 mM MgCl2, 0.1 M Hepes pH 7.0 |
