5A6Y
Structure of the LecB lectin from Pseudomonas aeruginosa strain PA14 in complex with mannose-alpha1,3mannoside
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-05-15 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.979, 49.779, 75.438 |
Unit cell angles | 90.00, 93.34, 90.00 |
Refinement procedure
Resolution | 44.520 - 1.400 |
R-factor | 0.12457 |
Rwork | 0.122 |
R-free | 0.16328 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5a6q |
RMSD bond length | 0.017 |
RMSD bond angle | 1.795 |
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] | 44.520 | 1.420 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.040 | 0.180 |
Number of reflections | 76843 | |
<I/σ(I)> | 21 | 5.4 |
Completeness [%] | 99.4 | 94.9 |
Redundancy | 3.2 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 24% PEG 8K 0.2M AMSO4 0.1M TRIS PH 8.5. 10% GLYCEROL WAS ADDED AS CRYOPROTECTANT |