4AV4
FimH lectin domain co-crystal with a alpha-D-mannoside O-linked to a propynyl pyridine
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 | 2010-11-23 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 33.470, 41.890, 95.050 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.332 - 1.900 |
| R-factor | 0.181 |
| Rwork | 0.178 |
| R-free | 0.24200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vco |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.621 |
| 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] | 38.300 | 2.090 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.120 | 0.650 |
| Number of reflections | 11106 | |
| <I/σ(I)> | 12.23 | 3.18 |
| Completeness [%] | 100.0 | 99 |
| Redundancy | 6.2 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.6 | 30 % (V/V) 2-PROPANOL, 100 MM TRIS-HCL PH 8.5, 200 MM AMMONIUM ACETATE |
