6DGG
Cronobacter turicensis RpfR quorum-sensing receptor PAS domain in complex with C12:0
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 93 |
Detector technology | PIXEL |
Collection date | 2016-12-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.88557 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.682, 29.131, 41.493 |
Unit cell angles | 90.00, 115.29, 90.00 |
Refinement procedure
Resolution | 37.517 - 1.498 |
R-factor | 0.1498 |
Rwork | 0.147 |
R-free | 0.17430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5iu1 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.893 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.530 |
High resolution limit [Å] | 1.498 | 4.070 | 1.498 |
Rmerge | 0.065 | 0.038 | 0.221 |
Rmeas | 0.078 | 0.046 | 0.269 |
Rpim | 0.042 | 0.025 | 0.152 |
Number of reflections | 13614 | 726 | 650 |
<I/σ(I)> | 9.09 | ||
Completeness [%] | 97.2 | 96.7 | 92.3 |
Redundancy | 3.2 | 3.3 | 2.7 |
CC(1/2) | 0.928 | 0.997 | 0.928 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.75 | 293 | 200 mM sodium formate, 18% (vol/vol) PEG 3350, 100 mM HEPES (pH 7.75), 1mM BDSF and 0.62% (vol/vol) DMSO |