4AV5
Structure of a triclinic crystal of the FimH lectin domain in complex with a propynyl biphenyl alpha-D-mannoside, at 1.4 A resolution
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 | CCD |
| Collection date | 2010-02-21 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 1 |
| Unit cell lengths | 50.750, 51.520, 67.830 |
| Unit cell angles | 100.32, 93.17, 116.56 |
Refinement procedure
| Resolution | 18.592 - 1.400 |
| R-factor | 0.14 |
| Rwork | 0.139 |
| R-free | 0.16230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uwf |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.483 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE: 1.8_1069)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.790 | 1.600 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.030 | 0.120 |
| Number of reflections | 109811 | |
| <I/σ(I)> | 18.86 | 4.83 |
| Completeness [%] | 99.3 | 86.1 |
| Redundancy | 1.8 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.4 | 2% PEG8000, 0.5 M LI2SO4, pH 7.4 |
