5NHE
Crystal structure of xylose isomerase from Piromyces E2 in complex with two Cd2+ ions and xylose
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 | 2014-10-27 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 78.640, 79.370, 92.010 |
| Unit cell angles | 115.37, 89.97, 117.16 |
Refinement procedure
| Resolution | 45.100 - 1.860 |
| R-factor | 0.14163 |
| Rwork | 0.140 |
| R-free | 0.16474 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | D_1200004044 |
| RMSD bond length | 0.011 |
| 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] | 45.100 | 1.890 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.063 | 0.386 |
| Rpim | 0.059 | 0.361 |
| Number of reflections | 128136 | 4052 |
| <I/σ(I)> | 9.4 | 2 |
| Completeness [%] | 87.8 | 55.9 |
| Redundancy | 2 | 1.8 |
| CC(1/2) | 0.995 | 0.644 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 294 | 13-15 % PEG3350, 0.1 mM CdCl2, 0.1 M Hepes pH 7.0 |
