5FS5
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 | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-04-19 |
| Detector | RAYONIX |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 59.565, 96.917, 22.999 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 16.246 - 1.420 |
| R-factor | 0.1085 |
| Rwork | 0.106 |
| R-free | 0.16000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4auu |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.039 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 16.240 | 1.480 |
| High resolution limit [Å] | 1.420 | 1.420 |
| Rmerge | 0.090 | 0.470 |
| Number of reflections | 25691 | |
| <I/σ(I)> | 17.03 | 4.15 |
| Completeness [%] | 98.4 | 89 |
| Redundancy | 6.64 | 91.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 5% PGA-LM; 100 MM NA CACODYLATE PH 6.5; 12 % W/V PEG 8K; 10 MM N-HEPTYL ALPHA-D-MANNOPYRANOSIDE |
