5F7N
Blood group antigen binding adhesin BabA of Helicobacter pylori strain 17875 in complex with blood group A Lewis b pentasaccharide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| 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 | 50.850, 131.950, 123.810 |
| Unit cell angles | 90.00, 94.81, 90.00 |
Refinement procedure
| Resolution | 33.200 - 2.280 |
| R-factor | 0.17214 |
| Rwork | 0.171 |
| R-free | 0.19712 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5f7k |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.863 |
| 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] | 33.200 | 2.340 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.079 | 0.743 |
| Number of reflections | 72982 | |
| <I/σ(I)> | 12 | 2.2 |
| Completeness [%] | 98.6 | 97.9 |
| Redundancy | 5.6 | 5.6 |
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 |
