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 |