6H9Z
Molecular bases of histo-blood group antigen recognition by the most common human rotavirus
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) | 0.97907 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.352, 77.735, 104.006 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 62.270 - 1.510 |
| R-factor | 0.1732 |
| Rwork | 0.172 |
| R-free | 0.20480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6h9w |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.224 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.31) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 104.010 | 104.010 | 1.590 |
| High resolution limit [Å] | 1.510 | 4.780 | 1.510 |
| Rmerge | 0.128 | 0.070 | |
| Rmeas | 0.138 | 0.076 | 1.089 |
| Rpim | 0.051 | 0.028 | 0.425 |
| Total number of observations | 483220 | ||
| Number of reflections | 68175 | 2380 | 9712 |
| <I/σ(I)> | 10.2 | ||
| Completeness [%] | 99.8 | 99.9 | 98.9 |
| Redundancy | 7.1 | 6.6 | 6.3 |
| CC(1/2) | 0.996 | 0.995 | 0.802 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294.15 | 25% PEG3350 0.1M Bis-Tris pH5.5 |
