5F8R
Blood group antigen binding adhesin BabA of Helicobacter pylori strain S831 in complex with blood group H Lewis b hexasaccharide
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 | PIXEL |
Collection date | 2014-04-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.794, 131.914, 125.393 |
Unit cell angles | 90.00, 94.88, 90.00 |
Refinement procedure
Resolution | 48.400 - 2.440 |
R-factor | 0.19066 |
Rwork | 0.189 |
R-free | 0.21914 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5f7k |
RMSD bond length | 0.016 |
RMSD bond angle | 1.773 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.400 | 2.580 |
High resolution limit [Å] | 2.440 | 2.440 |
Rmerge | 0.092 | |
Number of reflections | 60611 | |
<I/σ(I)> | 10.1 | 1.5 |
Completeness [%] | 99.5 | 97 |
Redundancy | 5.6 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.2 M potassium thiocyanate, 0.1 M Bis Tris propane pH 7.5, 20 % w/v PEG 3350 |