7R3E
Fusion construct of PqsE and RhlR in complex with the synthetic antagonist mBTL
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 | 2021-05-31 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 1.033 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 159.651, 159.651, 288.743 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 53.540 - 3.460 |
R-factor | 0.229 |
Rwork | 0.228 |
R-free | 0.24280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5hiq |
RMSD bond length | 0.003 |
RMSD bond angle | 0.675 |
Data reduction software | autoPROC (1.0.5 (20210420)) |
Data scaling software | autoPROC (1.0.5 (20210420)) |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 144.372 | 3.700 |
High resolution limit [Å] | 3.460 | 3.460 |
Number of reflections | 19574 | 980 |
<I/σ(I)> | 17.5 | 1.5 |
Completeness [%] | 94.8 | |
Redundancy | 26.8 | |
CC(1/2) | 0.999 | 0.562 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M NaAcetat pH 4.22 1.029 M (NH4)2HPO4 Cryo: 10% (v/v) 2,3-Butandiol protein concentration: 12 mg/ ml |