7OZA
Sulfated host glycan recognition by carbohydrate sulfatases of the human gut microbiota (BT3796_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 | 73.180, 88.950, 87.910 |
| Unit cell angles | 90.00, 112.05, 90.00 |
Refinement procedure
| Resolution | 81.613 - 1.500 |
| Rwork | 0.141 |
| R-free | 0.17570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7an1 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.477 |
| 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] | 81.613 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 166081 | 8213 |
| <I/σ(I)> | 7 | 1.5 |
| Completeness [%] | 99.7 | |
| Redundancy | 1.9 | |
| CC(1/2) | 0.996 | 0.577 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20 mg/ml BT3796S1_16 with 10mM 4S-GalNAc was crystallised in 20 % PEG 6000, 0.2 M magnesium chloride and 0.1 MES pH 6.0. |
