9OF6
Structure of the Acinetobacter baumannii Response Regulator PmrA Receiver Domain I13M Mutation in Active Dimer State
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 | 2021-11-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.03320 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.137, 35.517, 92.118 |
| Unit cell angles | 90.00, 92.88, 90.00 |
Refinement procedure
| Resolution | 46.000 - 1.860 |
| R-factor | 0.1846 |
| Rwork | 0.180 |
| R-free | 0.22860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.751 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (1.19.2_4158) |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.096 | 0.279 |
| Rmeas | 0.106 | 0.310 |
| Rpim | 0.043 | 0.133 |
| Number of reflections | 18528 | 893 |
| <I/σ(I)> | 35.605 | 10.262 |
| Completeness [%] | 99.8 | 98.8 |
| Redundancy | 6 | 5 |
| CC(1/2) | 0.983 | 0.957 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.2 M Ammonium Acetate, 0.1 M Sodium Acetate pH 4.6, 30% PEG 4,000 |
