5G3L
ESCHERICHIA COLI HEAT LABILE ENTEROTOXIN TYPE IIB B-PENTAMER COMPLEXED WITH SIALYLATED SUGAR
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 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.564, 68.015, 154.513 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.330 - 1.720 |
R-factor | 0.1723 |
Rwork | 0.171 |
R-free | 0.19659 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tii |
RMSD bond length | 0.018 |
RMSD bond angle | 1.714 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.560 | 1.750 |
High resolution limit [Å] | 1.720 | 1.720 |
Rmerge | 0.070 | 0.470 |
Number of reflections | 54271 | |
<I/σ(I)> | 14.1 | 3 |
Completeness [%] | 98.4 | 96.4 |
Redundancy | 5 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | 20% PEG3350, 0.2M KCL, 0.1M NA2CO3, pH 6 |