8TCS
Structure of trehalose bound Alistipes sp. 3-Keto-beta-glucopyranoside-1,2-Lyase AL1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-03-11 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.994, 113.549, 212.442 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.335 - 1.500 |
| Rwork | 0.173 |
| R-free | 0.20510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 3.441 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.110 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.067 | 1.327 |
| Rmeas | 0.079 | 1.578 |
| Rpim | 0.043 | 0.844 |
| Number of reflections | 186241 | 18379 |
| <I/σ(I)> | 11 | |
| Completeness [%] | 99.9 | |
| Redundancy | 6.4 | 6.5 |
| CC(1/2) | 0.998 | 0.543 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.44 M Ammonium Chloride 21% PEG 6000 0.1 M Sodium Acetate pH 5 |
