6VO8
X-ray structure of the Cj1427 in the presence of NADH and GDP-D-glycero-D-mannoheptose, an essential NAD-dependent dehydrogenase from Campylobacter jejuni
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-12-02 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 98.723, 98.852, 72.939 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.010 - 2.400 |
| R-factor | 0.2107 |
| Rwork | 0.206 |
| R-free | 0.28560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6vo6 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.801 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 28260 | 3174 |
| <I/σ(I)> | 13.3 | 3 |
| Completeness [%] | 98.8 | 97.5 |
| Redundancy | 10.7 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 8-10% PEG-8000, 2%-tertbutyl alcohol, 100 mM homopipes, in the presence of 2.5 mM GDP-D-glycero-D-mannoheptose |
