5NH4
Crystal structure of xylose isomerase from Piromyces E2 in complex with one Mg2+ ions and glycerol
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 | 2014-09-04 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 78.606, 79.365, 92.096 |
| Unit cell angles | 115.50, 90.15, 116.92 |
Refinement procedure
| Resolution | 46.460 - 1.800 |
| R-factor | 0.19588 |
| Rwork | 0.194 |
| R-free | 0.22944 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5nh5 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.482 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.600 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.089 | 0.350 |
| Rpim | 0.064 | 0.260 |
| Number of reflections | 149911 | 6403 |
| <I/σ(I)> | 8.4 | 2.6 |
| Completeness [%] | 93.4 | 80.7 |
| Redundancy | 4 | 3.6 |
| CC(1/2) | 0.995 | 0.688 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 294 | 13-16 % PEG 3350, 0.01 M MgCl2, 0,1 M Hepes pH 7 |
