6H9W
Unraveling the role of the secretor antigen in human rotavirus attachment to histo-blood group antigens
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97923 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 76.148, 76.148, 70.084 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 65.950 - 1.350 |
| R-factor | 0.2069 |
| Rwork | 0.206 |
| R-free | 0.22730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2i2s |
| RMSD bond length | 0.032 |
| RMSD bond angle | 2.703 |
| Data reduction software | XDS |
| Data scaling software | Aimless (5.8.0158) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.950 | 1.420 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rpim | 0.021 | 0.266 |
| Number of reflections | 52302 | 7527 |
| <I/σ(I)> | 15.9 | 1.9 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 10 | 5.8 |
| CC(1/2) | 0.999 | 0.932 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294.15 | 1.2M (NH 4 ) 2 SO 4 3% iso-propanol and 0.1M sodium citrate pH4.6 |
