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 |