5TNV
Crystal Structure of a Xylose isomerase-like TIM barrel Protein from Mycobacterium smegmatis in Complex with Magnesium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-06-17 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97931 |
| Spacegroup name | H 3 |
| Unit cell lengths | 82.869, 82.869, 125.218 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.410 - 1.040 |
| R-factor | 0.116 |
| R-free | 0.13700 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.029 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SHELXCD (3.3.22) |
| Refinement software | SHELXL (2016/4) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.410 | 29.410 | 1.100 |
| High resolution limit [Å] | 1.040 | 3.300 | 1.040 |
| Rmerge | 0.050 | 0.027 | 0.315 |
| Number of reflections | 150741 | ||
| <I/σ(I)> | 15.8 | 22.4 | 2.5 |
| Completeness [%] | 98.5 | 98.4 | 96.1 |
| Redundancy | 5.2 | 5.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.2 M lithium sulfate; 25% PEG-3350, 0.1 M HEPES; 5 mM Mg |
