3VPS
Structure of a novel NAD dependent-NDP-hexosamine 5,6-dehydratase, TunA, involved in tunicamycin biosynthesis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | RIGAKU SATURN 944+ |
| Spacegroup name | P 1 |
| Unit cell lengths | 45.453, 51.061, 67.804 |
| Unit cell angles | 98.13, 106.65, 94.36 |
Refinement procedure
| Resolution | 22.260 - 1.900 |
| R-factor | 0.18812 |
| Rwork | 0.186 |
| R-free | 0.23522 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.002 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.260 | 1.949 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.188 | |
| Number of reflections | 42667 | |
| <I/σ(I)> | 14.2 | 1.4 |
| Completeness [%] | 98.55 | |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 20% polyethylene glycol 3350, 100mM 8v/v tascimate, pH 6, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
