8BVD
FimH lectin domain in complex with mannose C-linked to quinoline
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-09-22 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.978565 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 151.784, 151.784, 225.034 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.732 - 2.995 |
| Rwork | 0.251 |
| R-free | 0.30340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.387 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.732 | 3.180 |
| High resolution limit [Å] | 2.995 | 3.000 |
| Rmeas | 0.464 | 3.422 |
| Number of reflections | 31057 | 4900 |
| <I/σ(I)> | 12.41 | 1.37 |
| Completeness [%] | 98.6 | 98.3 |
| Redundancy | 39.4 | 40.2 |
| CC(1/2) | 0.996 | 0.615 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293.15 | 3.0M NaCl and 0.1M BIS-TRIS at pH=5.5 |
