7L19
Crystal structure of the MarR family transcriptional regulator from Enterobacter soli strain LF7 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 | 2020-11-15 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 117.699, 117.699, 74.140 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.140 - 2.770 |
R-factor | 0.2356 |
Rwork | 0.233 |
R-free | 0.27620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7kua |
RMSD bond length | 0.015 |
RMSD bond angle | 1.925 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.810 |
High resolution limit [Å] | 2.760 | 7.480 | 2.760 |
Rmerge | 0.156 | 0.069 | 1.234 |
Rmeas | 0.164 | 0.073 | 1.364 |
Rpim | 0.052 | 0.023 | 0.561 |
Total number of observations | 145150 | ||
Number of reflections | 15270 | 837 | 682 |
<I/σ(I)> | 7.9 | ||
Completeness [%] | 99.1 | 100 | 90 |
Redundancy | 9.5 | 9.8 | 4.5 |
CC(1/2) | 0.996 | 0.653 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Bis-Tris: HCl, pH 6.5, 2 M Ammonium Sulfate |