4AVH
Structure of the FimH lectin domain in the trigonal space group, in complex with a thioalkyl alpha-D-mannoside at 2.1 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 | 2010-02-21 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 91.310, 91.310, 80.300 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.844 - 2.105 |
R-factor | 0.1909 |
Rwork | 0.189 |
R-free | 0.23720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vco |
RMSD bond length | 0.009 |
RMSD bond angle | 1.102 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.840 | 2.200 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.240 | 1.040 |
Number of reflections | 22569 | |
<I/σ(I)> | 5.89 | 1.59 |
Completeness [%] | 1.0 | 74.1 |
Redundancy | 3.7 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.6 | 1 M LI2SO4, 100 MM TRIS PH 8.6, 10 MM NICL2, 0.2 M NON-DETERGENT SULFOBETAINE 201 |