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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 methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID23-2
Synchrotron siteESRF
BeamlineID23-2
Temperature [K]100
Detector technologyPIXEL
Collection date2018-07-15
DetectorDECTRIS PILATUS3 R CdTe 300K
Wavelength(s)0.97625
Spacegroup nameP 43 21 2
Unit cell lengths96.644, 96.644, 190.138
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution47.535 - 2.300
R-factor0.1978
Rwork0.195
R-free0.24560
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)6ra2
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwarePHENIX (1.13_2998)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]47.5352.380
High resolution limit [Å]2.3002.300
Rmerge0.0400.189
Number of reflections408283981
<I/σ(I)>11.8
Completeness [%]100.0
Redundancy2
CC(1/2)0.9980.905
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP2980.2 M ammonium acetate, 0.1 M tri sodium citrate pH 5.6 and 30% PEG 4000

232829

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