5FX3
Breaking down the wall: mutation of the tyrosine gate of the universal Escherichia coli fimbrial adhesin FimH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-07-11 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 54.180, 54.180, 257.950 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.921 - 1.900 |
| R-factor | 0.1606 |
| Rwork | 0.158 |
| R-free | 0.20220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4auu |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.114 |
| 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] | 46.920 | 2.040 |
| High resolution limit [Å] | 1.820 | 1.910 |
| Rmerge | 0.140 | 1.400 |
| Number of reflections | 21963 | |
| <I/σ(I)> | 13.27 | 2.8 |
| Completeness [%] | 99.5 | 99.7 |
| Redundancy | 10.3 | 10.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.2 M SODIUM MALONATE 0.1 M BIS TRIS PROPANE PH 7.5 20 % W/V PEG 3350 |
