4K6W
Crystal structure of Ad37 fiber knob in complex with trivalent sialic acid inhibitor ME0408
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-09-12 |
| Detector | DECTRIS PILATUS 2M-F |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.930, 69.280, 74.560 |
| Unit cell angles | 90.00, 94.92, 90.00 |
Refinement procedure
| Resolution | 45.660 - 1.500 |
| R-factor | 0.12861 |
| Rwork | 0.128 |
| R-free | 0.16715 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | unliganded Ad37 trimer |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.461 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0025) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.540 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.043 | 0.720 |
| Number of reflections | 97896 | |
| <I/σ(I)> | 15.1 | 1.7 |
| Completeness [%] | 99.4 | 96 |
| Redundancy | 3.66 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 293 | 28% PEG 8000, 0.1M HEPES, 0.05M zinc acetate, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
