5F7Y
Blood group antigen binding adhesin BabA of Helicobacter pylori strain 17875 in complex with blood group A type-1 hexasaccharide
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 | 50.870, 131.710, 123.610 |
| Unit cell angles | 90.00, 94.69, 90.00 |
Refinement procedure
| Resolution | 34.900 - 2.440 |
| R-factor | 0.17725 |
| Rwork | 0.176 |
| R-free | 0.20505 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5f7k |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.741 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.900 | 2.500 |
| High resolution limit [Å] | 2.440 | 2.440 |
| Rmerge | 0.095 | 0.786 |
| Number of reflections | 60096 | |
| <I/σ(I)> | 10.6 | 2.2 |
| Completeness [%] | 99.7 | 99.7 |
| Redundancy | 5.6 | 5.7 |
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 |
