7OZ9
Sulfated host glycan recognition by carbohydrate sulfatases of the human gut microbiota (BT3057-S1_16)
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-18 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9159 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.170, 90.755, 94.169 |
| Unit cell angles | 90.00, 98.55, 90.00 |
Refinement procedure
| Resolution | 65.520 - 1.907 |
| Rwork | 0.185 |
| R-free | 0.22330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7an1 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.478 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.520 | 1.940 |
| High resolution limit [Å] | 1.907 | 1.910 |
| Number of reflections | 85409 | 4269 |
| <I/σ(I)> | 8.8 | 2.2 |
| Completeness [%] | 99.6 | |
| Redundancy | 1.9 | |
| CC(1/2) | 0.992 | 0.390 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 35 mg/ml BT3057S1_16 with 10 mM 4S-GalNAc was crystallised in 20 % PEG 3350 and 0.2 M sodium nitrate |
