4W6Y
Co-complex structure of the lectin domain of F18 fimbrial adhesin FedF with inhibitory nanobody NbFedF9
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-09-11 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.00 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 52.562, 102.961, 114.528 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.260 - 1.570 |
R-factor | 0.19648 |
Rwork | 0.195 |
R-free | 0.22567 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4B4P and 2X1O |
RMSD bond length | 0.020 |
RMSD bond angle | 1.968 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.950 | 1.660 |
High resolution limit [Å] | 1.570 | 1.570 |
Rmerge | 1.837 | |
Number of reflections | 42810 | |
<I/σ(I)> | 11.1 | 1 |
Completeness [%] | 98.6 | 95.5 |
Redundancy | 9.7 | 9.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 2 M (NH4)2 SO4, 5% PEG-400 and 100 mM MES pH 6.5 |