4K6U
Crystal structure of Ad37 fiber knob in complex with trivalent sialic acid inhibitor ME0386
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-01-28 |
| Detector | PSI PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.860, 69.910, 74.070 |
| Unit cell angles | 90.00, 94.62, 90.00 |
Refinement procedure
| Resolution | 37.910 - 1.900 |
| R-factor | 0.17839 |
| Rwork | 0.177 |
| R-free | 0.22211 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | unliganded Ad37 trimer |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.426 |
| 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] | 40.000 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.079 | 0.545 |
| Number of reflections | 48241 | |
| <I/σ(I)> | 13.2 | 2.4 |
| Completeness [%] | 98.6 | 96.2 |
| Redundancy | 5.6 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 293 | 26% PEG 8000, 0.1M HEPES, 0.05M zinc acetate, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
