3I1L
Structure of porcine torovirus Hemagglutinin-Esterase in complex with its receptor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-3 |
Synchrotron site | ESRF |
Beamline | ID14-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-05-13 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.931000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 156.030, 103.690, 97.070 |
Unit cell angles | 90.00, 96.02, 90.00 |
Refinement procedure
Resolution | 46.270 - 2.790 |
R-factor | 0.1948 |
Rwork | 0.192 |
R-free | 0.24285 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3i1k |
RMSD bond length | 0.008 |
RMSD bond angle | 1.182 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.000 | 2.940 |
High resolution limit [Å] | 2.790 | 2.790 |
Rmerge | 0.086 | 0.487 |
Number of reflections | 36150 | |
<I/σ(I)> | 10.5 | 2 |
Completeness [%] | 94.3 | 95.3 |
Redundancy | 2.7 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2M potassium acetate, 18% (w/v) PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291.0K |