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 |
