6GTY
Crystal structure of the FimH lectin domain from E.coli K12 in complex with the dimannoside Man(alpha1-6)Man
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-11-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.99999 |
| Spacegroup name | P 43 |
| Unit cell lengths | 90.610, 90.610, 91.530 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.850 - 1.900 |
| R-factor | 0.1838 |
| Rwork | 0.182 |
| R-free | 0.21610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xoc |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.915 |
| 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] | 40.850 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmeas | 0.152 | 1.221 |
| Number of reflections | 58190 | 8988 |
| <I/σ(I)> | 9 | 1.9 |
| Completeness [%] | 99.8 | 99.5 |
| Redundancy | 7.5 | 7.6 |
| CC(1/2) | 0.996 | 0.703 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1 M ammonium sulfate, 0.3 M sodium formate, 0.1 M Tris pH 7.8, 3% w/v PGA-LM, 30% w/v PGA-LM PEG20K |
