3QND
crystal structure of Ad37 fiber knob in complex with trivalent sialic acid inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-26 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 105.190, 108.645, 112.511 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.470 - 2.400 |
| R-factor | 0.2234 |
| Rwork | 0.221 |
| R-free | 0.26349 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uxe |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.886 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 2.460 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.094 | 0.620 |
| Number of reflections | 50848 | |
| <I/σ(I)> | 16.7 | 3.7 |
| Completeness [%] | 99.5 | 99.5 |
| Redundancy | 7.3 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 293 | 26% PEG 8000, 0.05M zinc acetate, 0.1 M HEPES, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
