7DZ4
Crystal structures of D-allulose 3-epimerase with D-tagatose from Sinorhizobium fredii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2019-12-07 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.656, 87.921, 128.295 |
| Unit cell angles | 90.00, 99.31, 90.00 |
Refinement procedure
| Resolution | 36.110 - 1.840 |
| R-factor | 0.2055 |
| Rwork | 0.203 |
| R-free | 0.24480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5zfs |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.141 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASES |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.310 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmeas | 0.100 | 0.100 |
| Rpim | 0.038 | 0.466 |
| Number of reflections | 127088 | 6268 |
| <I/σ(I)> | 11.6 | 1.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.7 | |
| CC(1/2) | 0.998 | 0.730 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M Lithium sulfate monohydrate, 0.1 M BIS-TRIS pH 6.5, 25% w/v PEG 3,350 |
