1MUW
The 0.86 Angstrom Structure of Xylose Isomerase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-03-03 |
| Detector | SBC-2 |
| Wavelength(s) | 0.918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 85.906, 92.883, 98.321 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 0.860 |
| R-factor | 0.1255 |
| Rwork | 0.124 |
| R-free | 0.14310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xya |
| RMSD bond length | 0.016 |
| RMSD bond angle | 0.033 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 0.900 |
| High resolution limit [Å] | 0.800 | 0.800 |
| Rmerge | 0.051 | 0.565 |
| Number of reflections | 358727 | |
| <I/σ(I)> | 17.8 | 1.8 |
| Completeness [%] | 97.4 | 92 |
| Redundancy | 4.8 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 10mM MgCl2, 2.2M (NH4)2SO4, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
