5F97
Blood group antigen binding adhesin BabA of Helicobacter pylori strain A730 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 | 2015-05-08 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 102.900, 134.910, 123.800 |
| Unit cell angles | 90.00, 102.52, 90.00 |
Refinement procedure
| Resolution | 67.460 - 2.620 |
| R-factor | 0.19057 |
| Rwork | 0.188 |
| R-free | 0.23688 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5f7k |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.677 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.460 | 2.760 |
| High resolution limit [Å] | 2.620 | 2.620 |
| Rmerge | 0.113 | |
| Number of reflections | 98949 | |
| <I/σ(I)> | 9.6 | 5.8 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 5.6 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.12 M Alcohols (0.2M 1,6-Hexanediol; 0.2M 1-Butanol; 0.2M 1,2-Propanediol; 0.2M 2- Propanol; 0.2M 1,4-Butanediol; 0.2M 1,3-Propanediol), 0.1 M Buffer System 2 (Sodium HEPES; MOPS (acid)) pH 7.5, 50 % v/v EDO_P8K (40% v/v Ethylene glycol; 20 % w/v PEG 8000 |
