5F7W
Blood group antigen binding adhesin BabA of Helicobacter pylori strain 17875 in complex with blood group B Lewis b heptasaccharide
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 | 2014-07-21 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.96863 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.090, 132.440, 123.510 |
Unit cell angles | 90.00, 94.93, 90.00 |
Refinement procedure
Resolution | 43.200 - 2.810 |
R-factor | 0.17263 |
Rwork | 0.171 |
R-free | 0.20753 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5f7k |
RMSD bond length | 0.014 |
RMSD bond angle | 1.622 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.200 | 2.880 |
High resolution limit [Å] | 2.810 | 2.810 |
Rmerge | 0.080 | 0.751 |
Number of reflections | 39799 | |
<I/σ(I)> | 12.5 | 1.8 |
Completeness [%] | 99.7 | 99.9 |
Redundancy | 4.6 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.2M sodium nitrate, 0.1M Bis Tris propane pH 6.5, 20% w/v PEG 3350 |