5A70
Structure of the LecB lectin from Pseudomonas aeruginosa strain PA14 in complex with lewis x tetrasaccharide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-04-10 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.898, 63.228, 63.889 |
Unit cell angles | 90.00, 91.20, 90.00 |
Refinement procedure
Resolution | 44.940 - 1.600 |
R-factor | 0.13767 |
Rwork | 0.136 |
R-free | 0.17136 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5a6q |
RMSD bond length | 0.017 |
RMSD bond angle | 1.701 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.940 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.040 | 0.330 |
Number of reflections | 53856 | |
<I/σ(I)> | 17.5 | 2.5 |
Completeness [%] | 96.8 | 74.7 |
Redundancy | 3 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 30% PEG 8K 0.2M AMSO4 0.1M TRIS PH 8.5 |