6RA3
Structural basis for recognition and ring-cleavage of the Pseudomonas quinolone signal (PQS) by AqDC in complex with its product
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 | 2018-07-15 |
Detector | DECTRIS PILATUS3 R CdTe 300K-W |
Wavelength(s) | 0.97625 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 96.173, 96.173, 189.616 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.086 - 2.000 |
R-factor | 0.1917 |
Rwork | 0.189 |
R-free | 0.24200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2wj3 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.066 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.086 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.100 | 0.686 |
Number of reflections | 60826 | 5937 |
<I/σ(I)> | 18.83 | |
Completeness [%] | 100.0 | |
Redundancy | 14.6 | |
CC(1/2) | 0.999 | 0.922 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.10 to 0.15 M magnesium chloride, 0.1 M sodium chloride, 0.1 M MES pH 6.5 and 30 to 40 % PEG 400 at 12C. |