4Q7I
Crystal structure of engineered thermostable D-tagatose 3-epimerase PcDTE-Var8
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-09-02 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 110.470, 47.500, 124.730 |
| Unit cell angles | 90.00, 103.68, 90.00 |
Refinement procedure
| Resolution | 53.730 - 1.800 |
| R-factor | 0.17809 |
| Rwork | 0.176 |
| R-free | 0.20781 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qul |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.484 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.1.27) |
| Phasing software | PHASER (2.5.3) |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 53.730 | 53.670 | 1.840 |
| High resolution limit [Å] | 1.800 | 9.000 | 1.800 |
| Rmerge | 0.057 | 0.059 | 0.378 |
| Number of reflections | 58427 | ||
| <I/σ(I)> | 11.2 | 24.3 | 3.1 |
| Completeness [%] | 99.6 | 99.6 | 99.6 |
| Redundancy | 3.1 | 3.3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.7 | 293 | 0.1M Tris, 18% w/v PEG 8000, 0.2M lithium sulfate, pH 7.7, vapor diffusion, sitting drop, temperature 293K |
