7UZT
Crystal structure of the human astrovirus MLB1 capsid protein spike domain at 1.86-A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-06-05 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.00004 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 72.100, 77.109, 75.445 |
| Unit cell angles | 90.00, 110.71, 90.00 |
Refinement procedure
| Resolution | 47.660 - 1.860 |
| R-factor | 0.2423 |
| Rwork | 0.242 |
| R-free | 0.26030 |
| Structure solution method | SAD |
| Data reduction software | XDS (February 5, 2021) |
| Data scaling software | Aimless (0.7.7.) |
| Phasing software | PHENIX (1.19.1_4122) |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.660 | 47.660 | 1.900 |
| High resolution limit [Å] | 1.860 | 9.110 | 1.860 |
| Rmerge | 0.082 | 0.039 | 0.433 |
| Rmeas | 0.097 | 0.046 | 0.514 |
| Rpim | 0.052 | 0.024 | 0.274 |
| Total number of observations | 219235 | 2028 | 12626 |
| Number of reflections | 63807 | 589 | 3788 |
| <I/σ(I)> | 8.7 | 16.4 | 2.7 |
| Completeness [%] | 98.1 | 98.8 | 94.2 |
| Redundancy | 3.4 | 3.4 | 3.3 |
| CC(1/2) | 0.995 | 0.998 | 0.884 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 295.15 | 0.1 M Bis-tris-HCl pH 5.5, 22.5% w/v polyethylene glycol 3350, 0.35 M magnesium chloride |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 295.15 | 0.1 M Bis-tris-HCl pH 5.5, 22.5% w/v polyethylene glycol 3350, 0.35 M magnesium chloride |
