5F9A
Blood group antigen binding adhesin BabA of Helicobacter pylori strain P436 in complex with blood group H Lewis b hexasaccharide
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 | 2015-07-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 124.047, 136.167, 124.634 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.540 - 2.440 |
| R-factor | 0.2073 |
| Rwork | 0.205 |
| R-free | 0.25744 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5f7k |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.877 |
| 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] | 51.540 | 2.570 |
| High resolution limit [Å] | 2.440 | 2.440 |
| Rmerge | 0.095 | |
| Number of reflections | 39582 | |
| <I/σ(I)> | 8.8 | 1.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.5 | 6.4 |
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 |
