9JWO
De novo designed D-allose binding protein based on 1gud
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-06-02 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97923 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 67.948, 137.073, 37.082 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.080 - 1.800 |
| R-factor | 0.1867 |
| Rwork | 0.185 |
| R-free | 0.22050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.828 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.540 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.071 | 1.064 |
| Rpim | 0.039 | 0.584 |
| Number of reflections | 33060 | 1936 |
| <I/σ(I)> | 16.5 | 1.9 |
| Completeness [%] | 99.9 | |
| Redundancy | 8.2 | |
| CC(1/2) | 0.999 | 0.710 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.2M Citric acid pH 4.1 20% w/v Polyethylene glycol 4000 |
