6GTW
Crystal structure of the FimH lectin domain from E.coli F18 in complex with trimannose
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 | 2013-07-13 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.362460 |
| Spacegroup name | H 3 |
| Unit cell lengths | 175.180, 175.180, 124.660 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 64.801 - 2.500 |
| R-factor | 0.1929 |
| Rwork | 0.192 |
| R-free | 0.21640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xoc |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.900 |
| 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] | 64.801 | 2.650 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmeas | 0.248 | 2.033 |
| Number of reflections | 49294 | 7890 |
| <I/σ(I)> | 10.3 | 1.6 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 10.1 | 9.8 |
| CC(1/2) | 0.994 | 0.678 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M CaCl2, 0.1 M Hepes-NaOH pH 7.0, 25% PEG 3350 |
