7KFO
Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to Indole 3 acetic acid
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 | 2019-12-15 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | F 2 2 2 |
Unit cell lengths | 55.042, 114.337, 115.094 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.550 - 1.300 |
R-factor | 0.1814 |
Rwork | 0.181 |
R-free | 0.19240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3cdh |
RMSD bond length | 0.006 |
RMSD bond angle | 0.900 |
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] | 45.550 | 1.346 |
High resolution limit [Å] | 1.300 | 1.300 |
Number of reflections | 43274 | 13958 |
<I/σ(I)> | 24.27 | |
Completeness [%] | 96.8 | |
Redundancy | 6.2 | |
CC(1/2) | 0.999 | 0.796 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Sodium Chloride, 0.1 M Bis-Tris: HCl, pH 6.5, 1.5 M Ammonium Sulfate |