3SIT
Crystal structure of porcine CRW-8 Rotavirus VP8* in complex with aceramido-GM3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-25 |
| Detector | MAR CCD 165 mm |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.777, 57.357, 113.129 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.350 - 1.800 |
| R-factor | 0.1855 |
| Rwork | 0.184 |
| R-free | 0.21292 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2i2s |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.049 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.350 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.071 | 0.384 |
| Number of reflections | 35062 | |
| <I/σ(I)> | 8.5 | 1.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.29 | 7.33 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 15-20 mg/mL protein, 65-75% MPD, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
