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 |
