6G8H
Flavonoid-responsive Regulator FrrA in complex with (R,S)-Naringenin
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-10-27 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97630 |
Spacegroup name | P 43 |
Unit cell lengths | 118.709, 118.709, 78.354 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 118.709 - 2.600 |
Rwork | 0.182 |
R-free | 0.21890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6g87 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.793 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 118.710 | 2.540 |
High resolution limit [Å] | 2.312 | 2.312 |
Rmeas | 0.094 | 1.760 |
Number of reflections | 67523 | 8294 |
<I/σ(I)> | 9.74 | 0.54 |
Completeness [%] | 95.2 | 72.2 |
Redundancy | 3.35 | 2.76 |
CC(1/2) | 0.998 | 0.200 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 6mg/ml FrrA in 20 mM Na2HPO4, 50 mM imidazole, pH 7.5, 50 mM NaCl with equimolar naringenin in 70% Ethanol. Precipitant 16,5 % PEG 8000; 0.1 M CHES, pH 9.5. |