4UT5
Crystal structure of the LecB lectin from Pseudomonas aeruginosa strain PA7 in complex with lewis a 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 | 2014-04-07 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.790, 70.370, 54.660 |
Unit cell angles | 90.00, 90.50, 90.00 |
Refinement procedure
Resolution | 42.230 - 1.750 |
R-factor | 0.14928 |
Rwork | 0.148 |
R-free | 0.18345 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gzt |
RMSD bond length | 0.015 |
RMSD bond angle | 1.619 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.230 | 1.780 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.060 | 0.350 |
Number of reflections | 40169 | |
<I/σ(I)> | 13.7 | 3 |
Completeness [%] | 99.4 | 93.5 |
Redundancy | 3.4 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.6 | 14% PEG6K, 0.2M LITHIUM CHLORIDE AND 0.1M SODIUM ACETATE PH 4.6. CRYO WITH 26% PEG 6K |