9KD2
Crystal structure of Bacteroides ovatus DhuD complexed with NAD+ responsible for metabolism of glycosaminoglycan
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-07-30 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 161.943, 126.911, 71.657 |
| Unit cell angles | 90.00, 102.38, 90.00 |
Refinement procedure
| Resolution | 48.690 - 3.100 |
| R-factor | 0.19773 |
| Rwork | 0.195 |
| R-free | 0.24175 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.966 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.690 | 3.280 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.071 | 0.645 |
| Rmeas | 0.086 | 0.774 |
| Number of reflections | 25615 | 4095 |
| <I/σ(I)> | 11.5 | 1.7 |
| Completeness [%] | 98.9 | 98.5 |
| Redundancy | 3.08 | 3.19 |
| CC(1/2) | 0.998 | 0.812 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | PEG 8000, 2-propanol, HEPES, sodium acetate |
