5F9D
Blood group antigen binding adhesin BabA of Helicobacter pylori strain P436 in complex with Lewis b blood group B heptasaccharide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-09-20 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 119.180, 135.090, 127.330 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 73.150 - 2.590 |
| R-factor | 0.19689 |
| Rwork | 0.195 |
| R-free | 0.23365 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5f7k |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.792 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.150 | 2.660 |
| High resolution limit [Å] | 2.590 | 2.590 |
| Rmerge | 0.067 | |
| Number of reflections | 32091 | |
| <I/σ(I)> | 15.6 | 1.7 |
| Completeness [%] | 99.5 | 99.5 |
| Redundancy | 6.7 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 1 M Sodium acetate, 100 mM Imidazole pH 8.0 |
