4POS
Structure of Human Polyomavirus 9 VP1 pentamer in complex with 3'-sialyllactosamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 93 |
| Detector technology | PIXEL |
| Collection date | 2012-04-30 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 96.910, 180.630, 199.420 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 133.876 - 2.000 |
| R-factor | 0.1803 |
| Rwork | 0.179 |
| R-free | 0.21318 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4poq |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.207 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0025) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 133.876 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.120 | 0.750 |
| Number of reflections | 235564 | |
| <I/σ(I)> | 9.97 | 1.95 |
| Completeness [%] | 98.0 | 98.02 |
| Redundancy | 3.2 | 2.81 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.15 | 293 | 20% v/v isopropanol, 0.2 M calcium chloride, 0.1 M sodium acetate, pH 5.15, soaked in 40 mM 3'-sialyllactosamine for 20 minutes, cryoprotectant: 25% v/v ethylene glycol, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
