4X5P
Crystal structure of FimH in complex with a benzoyl-amidophenyl alpha-D-mannopyranoside
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 | 2013-02-11 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.8000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.840, 55.890, 61.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.125 - 0.997 |
| R-factor | 0.1239 |
| Rwork | 0.123 |
| R-free | 0.13930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uwf |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.569 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: dev_1779)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.120 | 1.032 |
| High resolution limit [Å] | 0.997 | 0.997 |
| Rmerge | 0.049 | 0.933 |
| Number of reflections | 90597 | |
| <I/σ(I)> | 22.8 | 2.06 |
| Completeness [%] | 98.9 | 89.84 |
| Redundancy | 12.8 | 12.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.7 | 293 | 20% PEG4000, 0.2 M NaH2PO4, pH 4.7 |
