7OZC
Sulfated host glycan recognition by carbohydrate sulfatases of the human gut microbiota (BT3109_S1_15)
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-12-14 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.150, 91.760, 52.680 |
| Unit cell angles | 90.00, 116.63, 90.00 |
Refinement procedure
| Resolution | 47.090 - 1.750 |
| Rwork | 0.184 |
| R-free | 0.21700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6s20 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.492 |
| 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] | 47.136 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Number of reflections | 44392 | 2410 |
| <I/σ(I)> | 8.8 | 1.2 |
| Completeness [%] | 99.5 | |
| Redundancy | 3.5 | |
| CC(1/2) | 0.997 | 0.493 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 10 mg/ml of BT3109S1_15 with 10 mM 6S-Gal was crystallised in 30 % PEG 4000, 0.2 M ammonium acetate and sodium citrate pH 5.6. |
