9X6N
Crystal structure of Klebsiella oxytoca ribitol dehydrogenase in complex with D-allulose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-03-05 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.008, 102.869, 80.574 |
| Unit cell angles | 90.00, 109.70, 90.00 |
Refinement procedure
| Resolution | 42.610 - 1.560 |
| R-factor | 0.16982 |
| Rwork | 0.169 |
| R-free | 0.19226 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.219 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.610 | 1.590 |
| High resolution limit [Å] | 1.560 | 1.560 |
| Rmerge | 0.034 | 0.512 |
| Rmeas | 0.041 | 0.625 |
| Rpim | 0.022 | 0.354 |
| Total number of observations | 20017 | |
| Number of reflections | 138604 | 6796 |
| <I/σ(I)> | 20.1 | 2.2 |
| Completeness [%] | 99.5 | |
| Redundancy | 3.3 | 2.9 |
| CC(1/2) | 1.000 | 0.770 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | ammonium sulfate, isopropanol, PEG8000, HEPES |
