7L1I
Crystal structure of the MarR family transcriptional regulator from Acineotobacter baumannii 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 | 2020-11-14 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 72.672, 72.672, 125.125 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.360 - 2.350 |
| R-factor | 0.216 |
| Rwork | 0.214 |
| R-free | 0.25860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7kua |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.787 |
| 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 | 2.390 |
| High resolution limit [Å] | 2.350 | 6.370 | 2.350 |
| Rmerge | 0.101 | 0.083 | 0.734 |
| Rmeas | 0.105 | 0.086 | 0.810 |
| Rpim | 0.026 | 0.022 | 0.333 |
| Total number of observations | 121829 | ||
| Number of reflections | 8439 | 528 | 321 |
| <I/σ(I)> | 7.1 | ||
| Completeness [%] | 96.8 | 100 | 77.5 |
| Redundancy | 14.4 | 14.5 | 5.1 |
| CC(1/2) | 0.996 | 0.782 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M CHES: NaOH, pH 9.5, 30 % (w/v) PEG 3000 |
