6RB3
Structural basis for recognition and ring-cleavage of the Pseudomonas quinolone signal (PQS) by AqdC variant in complex with its substrate
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 |
Wavelength(s) | 0.97625 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 96.644, 96.644, 190.138 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.535 - 2.300 |
R-factor | 0.1978 |
Rwork | 0.195 |
R-free | 0.24560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ra2 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.535 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.040 | 0.189 |
Number of reflections | 40828 | 3981 |
<I/σ(I)> | 11.8 | |
Completeness [%] | 100.0 | |
Redundancy | 2 | |
CC(1/2) | 0.998 | 0.905 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.2 M ammonium acetate, 0.1 M tri sodium citrate pH 5.6 and 30% PEG 4000 |