6D6B
The structure of ligand binding domain of LasR in complex with TP-1 homolog, compound 11
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2015-02-12 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.276, 84.467, 156.203 |
| Unit cell angles | 90.00, 95.69, 90.00 |
Refinement procedure
| Resolution | 42.230 - 1.700 |
| R-factor | 0.18018 |
| Rwork | 0.179 |
| R-free | 0.20986 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.878 |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 138762 | |
| <I/σ(I)> | 18.2 | |
| Completeness [%] | 99.3 | |
| Redundancy | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 282.1 | 80 mM calcium acetate, 40 mM HEPES (pH 7.3), 3 mM dithiothreitol, and 16% polyethylene glycol 4000 |
