5AAL
Complex of the FimH lectin with a C-linked para-biphenyl ethylene alpha-D-mannoside in soaked trigonal crystals at 2.45 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 | 2009-10-15 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 90.430, 90.430, 79.670 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.767 - 2.450 |
| R-factor | 0.1398 |
| Rwork | 0.135 |
| R-free | 0.22920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4auu |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.368 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.770 | 2.640 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.110 | 0.360 |
| Number of reflections | 14129 | |
| <I/σ(I)> | 10.5 | 3.81 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 3.7 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.6 | 1M LI2SO4, 100 MM TRIS PH 8.6, 10 MM NICL2, 0.2 M NON-DETERGENT SULFO-BETAINE 201 |
