6D6N
The structure of ligand binding domain of LasR in complex with TP-1 homolog, compound 16
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 | 2014-12-12 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.297, 84.455, 76.907 |
Unit cell angles | 90.00, 101.12, 90.00 |
Refinement procedure
Resolution | 75.460 - 1.810 |
R-factor | 0.19472 |
Rwork | 0.192 |
R-free | 0.24288 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.777 |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 75.500 | 1.860 |
High resolution limit [Å] | 1.810 | 1.810 |
Number of reflections | 60824 | |
<I/σ(I)> | 16.1 | |
Completeness [%] | 99.9 | |
Redundancy | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 282 | 80 mM calcium acetate, 40 mM HEPES (pH 7.3), 3 mM dithiothreitol, and 16% polyethylene glycol 4000 |