9KCS
Crystal structure of Tagatose 4-epimerase with one glycerol from Thermoprotei archaeon
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-06-05 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.54178 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 87.420, 76.230, 90.930 |
| Unit cell angles | 90.00, 100.64, 90.00 |
Refinement procedure
| Resolution | 45.640 - 2.130 |
| R-factor | 0.17752 |
| Rwork | 0.176 |
| R-free | 0.21717 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.362 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.640 | 2.190 |
| High resolution limit [Å] | 2.130 | 2.130 |
| Number of reflections | 31435 | 2570 |
| <I/σ(I)> | 11.3 | |
| Completeness [%] | 95.9 | |
| Redundancy | 2 | |
| CC(1/2) | 0.997 | 0.729 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1 M HEPES pH 7.5 42% v/v Polyethylene glycol 200 5 mM Nickel sulfate |
