5L4V
Crystal structure of FimH lectin domain in complex with 3-Deoxy-Heptylmannoside
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 | 2015-06-12 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.00004 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.940, 95.340, 70.730 |
| Unit cell angles | 90.00, 105.02, 90.00 |
Refinement procedure
| Resolution | 47.670 - 2.990 |
| R-factor | 0.2484 |
| Rwork | 0.248 |
| R-free | 0.25220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xo8 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.070 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.670 | 3.170 |
| High resolution limit [Å] | 2.990 | 2.990 |
| Rmerge | 0.301 | 1.130 |
| Number of reflections | 11564 | |
| <I/σ(I)> | 4.5 | 1.3 |
| Completeness [%] | 98.6 | 93.9 |
| Redundancy | 4.4 | 4.2 |
| CC(1/2) | 0.860 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 285 | 0.2 M (NH4)2SO4, 0.1 M Hepes pH 7 and 25-30% PEG3350 |
