5A6Q
Native structure of the LecB lectin from Pseudomonas aeruginosa strain PA14
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 | 52.948, 49.591, 75.473 |
Unit cell angles | 90.00, 93.37, 90.00 |
Refinement procedure
Resolution | 41.420 - 1.700 |
R-factor | 0.15861 |
Rwork | 0.157 |
R-free | 0.19698 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1uzv |
RMSD bond length | 0.017 |
RMSD bond angle | 1.605 |
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] | 41.420 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.080 | 0.300 |
Number of reflections | 43091 | |
<I/σ(I)> | 10.1 | 3.4 |
Completeness [%] | 99.7 | 99.9 |
Redundancy | 3.2 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 22% PEG 8K 0.2M AMSO4 0.1M TRIS PH 8.5 10 % GLYCEROL WAS ADDED AS CRYOPROTECTANT |