7ANB
A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT1622-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 XE 16M |
Wavelength(s) | 0.9790 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 81.268, 81.268, 383.735 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 95.930 - 2.600 |
Rwork | 0.219 |
R-free | 0.24480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | BT1624 |
RMSD bond length | 0.004 |
RMSD bond angle | 1.319 |
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] | 96.118 | 2.710 |
High resolution limit [Å] | 2.600 | 2.600 |
Number of reflections | 40144 | 4376 |
<I/σ(I)> | 5.5 | |
Completeness [%] | 97.8 | |
Redundancy | 7.3 | |
CC(1/2) | 0.987 | 0.344 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | 20 % PEG 3350, 0.2 M Sodium citrate, 25 mg/ml BT1622 and 10 mM LacNAc. |