7KK0
Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to Catechol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-12-17 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.03320 |
Spacegroup name | F 2 2 2 |
Unit cell lengths | 54.719, 113.639, 115.049 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.320 - 1.500 |
R-factor | 0.1843 |
Rwork | 0.183 |
R-free | 0.19600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7kfo |
RMSD bond length | 0.008 |
RMSD bond angle | 1.071 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.320 | 1.554 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 28832 | 2849 |
<I/σ(I)> | 19.52 | |
Completeness [%] | 99.8 | |
Redundancy | 2 | |
CC(1/2) | 1.000 | 0.743 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Ammonium Sulfate, 0.1 M HEPES: NaOH, pH 7.5, 25 % (w/v) PEG 3350 |