4X5Q
Crystal structure of FimH in complex with 5-nitro-indolinylphenyl 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 | 2012-11-23 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.460, 56.160, 61.540 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.080 - 1.120 |
| R-factor | 0.1071 |
| Rwork | 0.106 |
| R-free | 0.12880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uwf |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.561 |
| 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] | 28.080 | 1.160 |
| High resolution limit [Å] | 1.120 | 1.120 |
| Rmerge | 0.023 | 0.190 |
| Number of reflections | 60363 | |
| <I/σ(I)> | 39.9 | 7.1 |
| Completeness [%] | 92.4 | 72.7 |
| Redundancy | 6.2 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.7 | 293 | 20% PEG 3,350, 0.2 M sodium phosphate monobasic monohydrate |
