7U6G
Structure of PQS Response Protein PqsE(E182W,E280A) Variant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-02-28 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.9201 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 60.621, 60.621, 145.963 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.960 - 2.450 |
| R-factor | 0.1759 |
| Rwork | 0.173 |
| R-free | 0.24150 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7kgx |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.911 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Refinement software | PHENIX (1.17-3644) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.960 | 29.960 | 2.510 |
| High resolution limit [Å] | 2.440 | 10.930 | 2.440 |
| Rmerge | 0.094 | 0.046 | 0.936 |
| Rmeas | 0.100 | 0.050 | 1.000 |
| Rpim | 0.032 | 0.017 | 0.342 |
| Total number of observations | 116855 | 1287 | 6200 |
| Number of reflections | 12028 | 169 | 798 |
| <I/σ(I)> | 14.7 | 41 | 1.8 |
| Completeness [%] | 99.2 | 95.8 | 89.9 |
| Redundancy | 9.7 | 7.6 | 7.8 |
| CC(1/2) | 0.999 | 0.998 | 0.659 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1 M HEPES pH 7.5, 0.2 M MgCl2, 27% (w/v) PEG 400 |
