4X5P
Crystal structure of FimH in complex with a benzoyl-amidophenyl alpha-D-mannopyranoside
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 |
Wavelength(s) | 0.8000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.840, 55.890, 61.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.125 - 0.997 |
R-factor | 0.1239 |
Rwork | 0.123 |
R-free | 0.13930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1uwf |
RMSD bond length | 0.012 |
RMSD bond angle | 1.569 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: dev_1779)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.120 | 1.032 |
High resolution limit [Å] | 0.997 | 0.997 |
Rmerge | 0.049 | 0.933 |
Number of reflections | 90597 | |
<I/σ(I)> | 22.8 | 2.06 |
Completeness [%] | 98.9 | 89.84 |
Redundancy | 12.8 | 12.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.7 | 293 | 20% PEG4000, 0.2 M NaH2PO4, pH 4.7 |