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 |
