5F93
Blood group antigen binding adhesin BabA of Helicobacter pylori strain A730 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 | 2015-06-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.98 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 103.175, 134.473, 123.979 |
Unit cell angles | 90.00, 102.30, 90.00 |
Refinement procedure
Resolution | 48.640 - 2.990 |
R-factor | 0.18371 |
Rwork | 0.181 |
R-free | 0.23381 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5f7k |
RMSD bond length | 0.012 |
RMSD bond angle | 1.535 |
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] | 48.640 | 3.160 |
High resolution limit [Å] | 2.990 | 2.990 |
Rmerge | 0.180 | |
Number of reflections | 65294 | |
<I/σ(I)> | 9.9 | 1.7 |
Completeness [%] | 97.9 | 86.1 |
Redundancy | 6.9 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.12 M Alcohols (0.2M 1,6-Hexanediol; 0.2M 1-Butanol; 0.2M 1,2-Propanediol; 0.2M 2- Propanol; 0.2M 1,4-Butanediol; 0.2M 1,3-Propanediol), 0.1 M Buffer System 2 (Sodium HEPES; MOPS (acid)) pH 7.5, 50 % v/v EDO_P8K (40% v/v Ethylene glycol; 20 % w/v PEG 8000 |