4K6T
Crystal structure of Ad37 fiber knob in complex with trivalent sialic acid inhibitor ME0385
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 | 74.940, 67.180, 121.430 |
| Unit cell angles | 90.00, 96.81, 90.00 |
Refinement procedure
| Resolution | 37.260 - 2.000 |
| R-factor | 0.1607 |
| Rwork | 0.160 |
| R-free | 0.19957 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | unliganded Ad37 trimer |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.433 |
| 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 | 2.040 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.120 | 0.563 |
| Number of reflections | 80719 | |
| <I/σ(I)> | 6.1 | 2.1 |
| Completeness [%] | 99.3 | 99.1 |
| Redundancy | 3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 293 | 24% PEG 8000, 0.1M HEPES, 0.05M zinc acetate, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
