7OZE
Sulfated host glycan recognition by carbohydrate sulfatases of the human gut microbiota (BT1624-S1_15)
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-18 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9790 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 86.401, 124.715, 97.137 |
| Unit cell angles | 90.00, 95.32, 90.00 |
Refinement procedure
| Resolution | 50.500 - 2.700 |
| Rwork | 0.229 |
| R-free | 0.26350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6s20 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.343 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.540 | 2.780 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Number of reflections | 56316 | 4596 |
| <I/σ(I)> | 3 | 1.4 |
| Completeness [%] | 100.0 | |
| Redundancy | 3.7 | |
| CC(1/2) | 0.927 | 0.662 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20 mg/ml BT1624-S1_15 with 10 mM 6S-GalNAc crystallised in 20 % PEG 6000, 0.2 M ammonium chloride and 0.1 M sodium acetate pH 5.5 |
