1W8H
structure of pseudomonas aeruginosa lectin II (PA-IIL)complexed with lewisA trisaccharide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-10-28 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.575, 75.824, 52.746 |
Unit cell angles | 90.00, 93.48, 90.00 |
Refinement procedure
Resolution | 26.350 - 1.750 |
R-factor | 0.126 |
Rwork | 0.125 |
R-free | 0.16900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gzt |
RMSD bond length | 0.014 |
RMSD bond angle | 1.458 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.1.9999) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.820 | 1.810 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.090 | 0.330 |
Number of reflections | 34811 | |
<I/σ(I)> | 13.19 | 3.76 |
Completeness [%] | 85.1 | 41.7 |
Redundancy | 4.06 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | pH 8.50 |