7AN1
A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT1636-S1_20)
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 | 2018-07-08 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.9790 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.280, 87.850, 103.310 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.708 - 1.500 |
Rwork | 0.141 |
R-free | 0.16720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fsu |
RMSD bond length | 0.009 |
RMSD bond angle | 1.503 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | BALBES |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.709 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 107725 | 5296 |
<I/σ(I)> | 11.2 | 1.4 |
Completeness [%] | 99.1 | |
Redundancy | 7 | |
CC(1/2) | 0.997 | 0.656 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | BT1636 (20 mg/ml) with 20 mM LacNAc crystallised in 40 % MPD and 0.2 M sodium cacodylate pH 6.5. |