5F2F
Crystal structure of para-biphenyl-2-methyl-3', 5' di-methyl amide mannoside bound to FimH lectin domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-06-20 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54179 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.030, 55.630, 60.880 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.783 - 1.665 |
| R-factor | 0.1443 |
| Rwork | 0.142 |
| R-free | 0.17680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mcy |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.403 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.783 | 1.760 |
| High resolution limit [Å] | 1.665 | 1.665 |
| Rmerge | 0.079 | 0.593 |
| Number of reflections | 19538 | |
| <I/σ(I)> | 14.1 | 1.9 |
| Completeness [%] | 97.0 | 79.5 |
| Redundancy | 6 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 291 | 0.2 M AmSO4, 20% PEG3350 |
