7OZ8
Sulfated host glycan recognition by carbohydrate sulfatases of the human gut microbiota (BT1918_S1_46)
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 | 2018-08-07 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 56.389, 56.389, 279.763 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.153 - 1.950 |
| Rwork | 0.188 |
| R-free | 0.20370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vqr |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.511 |
| 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] | 48.153 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 39105 | 2675 |
| <I/σ(I)> | 5.8 | |
| Completeness [%] | 100.0 | |
| Redundancy | 10.3 | |
| CC(1/2) | 0.990 | 0.803 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 20 mg/ml of BT1918S1_46 with 10 mM 6S-GlcNAc was crystallised in 45 % MPD, 0.2 M CaCl2 and 0.1 M Bis-Tris pH 5.5. |
