4CSS
Crystal structure of FimH in complex with a sulfonamide biphenyl alpha D-mannoside
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-F |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.384, 56.234, 61.595 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.117 - 1.069 |
| R-factor | 0.1133 |
| Rwork | 0.112 |
| R-free | 0.13210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uwf |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.615 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.130 |
| High resolution limit [Å] | 1.070 | 1.070 |
| Rmerge | 0.060 | 0.570 |
| Number of reflections | 72000 | |
| <I/σ(I)> | 21.5 | 2.2 |
| Completeness [%] | 96.1 | 78 |
| Redundancy | 10.9 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.7 | 0.2 M SODIUM PHOSPHATE MONOBASIC MONOHYDRATE, 20% W/V PEG 3,350, pH 4.7 |
