4POR
Structure of Human Polyomavirus 9 VP1 pentamer in complex with 3'-sialyllactose
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 | 2013-03-01 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 97.010, 180.400, 199.660 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 133.855 - 2.090 |
R-factor | 0.17944 |
Rwork | 0.178 |
R-free | 0.21570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4poq |
RMSD bond length | 0.008 |
RMSD bond angle | 1.234 |
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] | 133.855 | 2.140 |
High resolution limit [Å] | 2.090 | 2.090 |
Rmerge | 0.150 | 0.780 |
Number of reflections | 206909 | |
<I/σ(I)> | 8.36 | 1.92 |
Completeness [%] | 99.0 | 97.88 |
Redundancy | 3.15 | 2.94 |
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'-sialyllactose for 25 minutes, cryoprotectant: 25% v/v ethylene glycol, VAPOR DIFFUSION, HANGING DROP, temperature 293K |