5JCQ
Crystal structure of the FimH lectin domain from E.coli K12 in complex with methyl alpha-D-mannopyrannoside in spacegroup P21
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 | 2015-06-12 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.00004 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.899, 69.066, 62.927 |
| Unit cell angles | 90.00, 112.56, 90.00 |
Refinement procedure
| Resolution | 46.830 - 1.602 |
| R-factor | 0.1829 |
| Rwork | 0.181 |
| R-free | 0.21420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4x50 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.308 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.830 | 1.700 |
| High resolution limit [Å] | 1.602 | 1.602 |
| Rmerge | 0.070 | 0.423 |
| Number of reflections | 97484 | |
| <I/σ(I)> | 9.8 | 2.3 |
| Completeness [%] | 91.9 | 87.7 |
| Redundancy | 1.7 | 1.7 |
| CC(1/2) | 0.997 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M Ammoniumsulfat, 30% PEG3350, 0.1 M Hepes 7.0, frozen by addition of 20 % EG |
