1TR7
FimH adhesin receptor binding domain from uropathogenic E. coli
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-05-18 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.097 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 134.100, 29.200, 93.300 |
| Unit cell angles | 90.00, 92.20, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.17 |
| Rwork | 0.170 |
| R-free | 0.20000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | N-terminal domain of FimH from PDB entry 1QUN |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.698 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.22) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.200 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.111 | 0.250 |
| Number of reflections | 21827 | |
| <I/σ(I)> | 3.9 | 2.6 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 3.1 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | MPD, cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
