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 |