5KOV
Crystal structure of the human astrovirus 2 capsid protein spike in complex with a single chain variable fragment of an astrovirus neutralizing antibody at 3.24-A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-06-18 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.033029 |
| Spacegroup name | P 41 |
| Unit cell lengths | 199.998, 199.998, 157.515 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.999 - 3.245 |
| R-factor | 0.2433 |
| Rwork | 0.241 |
| R-free | 0.28760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5I30 5KOU |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.786 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (6.5.0) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.310 |
| High resolution limit [Å] | 3.200 | 6.890 | 3.200 |
| Rmerge | 0.159 | 0.110 | 0.674 |
| Rmeas | 0.185 | 0.122 | 0.834 |
| Rpim | 0.092 | 0.052 | 0.481 |
| Total number of observations | 281483 | ||
| Number of reflections | 86484 | ||
| <I/σ(I)> | 10.6 | ||
| Completeness [%] | 89.2 | 99.9 | 79 |
| Redundancy | 3.3 | 4.9 | 2.5 |
| CC(1/2) | 0.987 | 0.667 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 20% PEG 3350, 0.2M Sodium phosphate monobasic. |
