4ATT
FimH lectin domain co-crystal with a alpha-D-mannoside O-linked to a propynyl para methoxy phenyl
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 | 2010-02-20 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 31.010, 42.300, 96.350 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.175 - 1.251 |
| R-factor | 0.1511 |
| Rwork | 0.150 |
| R-free | 0.17750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vco |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.242 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.180 | 1.400 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.060 | 0.420 |
| Number of reflections | 33506 | |
| <I/σ(I)> | 17.9 | 4.17 |
| Completeness [%] | 93.8 | 86 |
| Redundancy | 4.3 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 1 M NH4COOH |
