4POT
Structure of Human Polyomavirus 9 VP1 pentamer in complex with N-glycolylneuraminic acid containing 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 | 2012-07-26 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 103.400, 177.650, 198.650 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 132.422 - 2.100 |
| R-factor | 0.18595 |
| Rwork | 0.184 |
| R-free | 0.22428 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4poq |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.222 |
| 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] | 132.422 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.150 | 0.810 |
| Number of reflections | 212860 | |
| <I/σ(I)> | 10.52 | 2.25 |
| Completeness [%] | 99.4 | 99.65 |
| Redundancy | 3.84 | 3.98 |
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 (N-glycolyl neuraminic acid) 3'-sialyllactosamine for 20 minutes, cryoprotectant: 25% v/v ethylene glycol, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
