6GTX
Crystal structure of the FimH lectin domain from E.coli K12 in complex with the dimannoside Man(alpha1-2)Man
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 | 2015-02-08 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.00003 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.609, 97.680, 77.910 |
| Unit cell angles | 90.00, 114.74, 90.00 |
Refinement procedure
| Resolution | 41.097 - 2.500 |
| R-factor | 0.2188 |
| Rwork | 0.218 |
| R-free | 0.23980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xoc |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.758 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.097 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmeas | 0.117 | 0.580 |
| Number of reflections | 35073 | 3943 |
| <I/σ(I)> | 6 | 1.8 |
| Completeness [%] | 99.6 | 99.7 |
| Redundancy | 3.1 | 3.1 |
| CC(1/2) | 0.998 | 0.753 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 1.5 M (NH4)2SO4, 0.1 M BisTris-HCl pH 5.5 |
