5F9A
Blood group antigen binding adhesin BabA of Helicobacter pylori strain P436 in complex with blood group H Lewis b hexasaccharide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-07-29 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.98 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 124.047, 136.167, 124.634 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.540 - 2.440 |
R-factor | 0.2073 |
Rwork | 0.205 |
R-free | 0.25744 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5f7k |
RMSD bond length | 0.017 |
RMSD bond angle | 1.877 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.540 | 2.570 |
High resolution limit [Å] | 2.440 | 2.440 |
Rmerge | 0.095 | |
Number of reflections | 39582 | |
<I/σ(I)> | 8.8 | 1.7 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.5 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 1 M Sodium acetate, 100 mM Imidazole pH 8.0 |