8JQ5
Crystal structure of Lactobacillus rhamnosus L-rhamnose isomerase in complex with D-allulose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-19 |
| Detector | DECTRIS PILATUS3 S 2M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 89.887, 139.445, 146.834 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.230 - 1.730 |
| R-factor | 0.14174 |
| Rwork | 0.139 |
| R-free | 0.18671 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.262 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.940 | 1.760 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmerge | 0.118 | 1.414 |
| Rmeas | 0.123 | 1.469 |
| Rpim | 0.033 | 0.396 |
| Total number of observations | 2569188 | 127215 |
| Number of reflections | 192191 | 9422 |
| <I/σ(I)> | 17.5 | 2.2 |
| Completeness [%] | 100.0 | |
| Redundancy | 13.4 | 13.5 |
| CC(1/2) | 0.999 | 0.722 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | PEG550MME, MES |
