6IAL
Porcine E.coli heat-labile enterotoxin B-pentamer in complex with Lacto-N-neohexaose
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 | 2015-12-05 |
| Detector | DECTRIS PILATUS3 X 2M |
| Wavelength(s) | 0.8729 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 77.079, 65.587, 96.266 |
| Unit cell angles | 90.00, 108.64, 90.00 |
Refinement procedure
| Resolution | 68.730 - 1.450 |
| R-factor | 0.17653 |
| Rwork | 0.175 |
| R-free | 0.20087 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1djr |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.682 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.730 | 1.470 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.125 | 1.151 |
| Number of reflections | 160263 | |
| <I/σ(I)> | 6.4 | |
| Completeness [%] | 99.8 | |
| Redundancy | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 0.1 M sodium acetate, 20 % w/v PEG 6000, 0.2 M lithium chloride |
