8B4A
Nativ complex of PqsE and RhlR with autoinducer C4-HSL
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-09-01 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 1.032849 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 159.875, 159.875, 285.731 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.520 - 3.060 |
R-factor | 0.2592 |
Rwork | 0.258 |
R-free | 0.27820 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.002 |
RMSD bond angle | 0.509 |
Data reduction software | XDS |
Data scaling software | STARANISO |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 142.870 | 3.370 |
High resolution limit [Å] | 3.060 | 3.060 |
Rmerge | 0.116 | 1.590 |
Rpim | 0.037 | 0.497 |
Number of reflections | 26958 | 2450 |
<I/σ(I)> | 12.8 | 1.8 |
Completeness [%] | 94.9 | 70.7 |
Redundancy | 10.7 | 11.2 |
CC(1/2) | 0.999 | 0.630 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 290 | 1.1 M (NH4)2HPO4, 10 mM THPP (pH 7), 100 uM C4-HSL, Dropsize: 1 ul + 1 ul in 48-well MRC plates Cryoprotectant: 30% (w/v) glycerol |