5MAY
STRUCTURE OF THE LECB LECTIN FROM PSEUDOMONAS AERUGINOSA STRAIN PA14 IN COMPLEX WITH 2-Thiophenesulfonamide-N-(beta-L-fucopyranosyl methyl)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97712 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.089, 65.520, 109.173 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.590 - 1.650 |
| R-factor | 0.13646 |
| Rwork | 0.135 |
| R-free | 0.17300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5a6q |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.671 |
| Data reduction software | XDS (2014) |
| Data scaling software | Aimless (0.3.11) |
| Phasing software | PHASER (2.5.6) |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.590 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.053 | 0.220 |
| Number of reflections | 45743 | |
| <I/σ(I)> | 20.5 | 4.1 |
| Completeness [%] | 98.2 | 82.7 |
| Redundancy | 5.7 | 2.7 |
| CC(1/2) | 0.998 | 0.835 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3.8 | 292 | 20% PEG6K 0.5M LiCl 0.1M citric acid ph 3.8 |
