4K6V
Crystal structure of Ad37 fiber knob in complex with trivalent sialic acid inhibitor ME0407
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 | 61.320, 69.680, 74.780 |
| Unit cell angles | 90.00, 94.43, 90.00 |
Refinement procedure
| Resolution | 45.960 - 1.500 |
| R-factor | 0.13452 |
| Rwork | 0.134 |
| R-free | 0.18464 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | unliganded Ad37 trimer |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.409 |
| 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 | 0.046 | 0.917 |
| Number of reflections | 99467 | |
| <I/σ(I)> | 14.6 | 1.3 |
| Completeness [%] | 100.0 | 95.7 |
| Redundancy | 3.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | 25% PEG 8000, 0.1M HEPES, 0.05M zinc acetate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
