7TZ9
Structure of PQS Response Protein PqsE(E182W) 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 | 2021-11-23 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.97933 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 61.028, 61.028, 146.717 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.170 - 2.010 |
| R-factor | 0.1717 |
| Rwork | 0.169 |
| R-free | 0.21650 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7kgx |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.787 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Refinement software | PHENIX (1.17_3644) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.340 | 29.340 | 2.060 |
| High resolution limit [Å] | 2.010 | 8.970 | 2.010 |
| Rmerge | 0.079 | 0.031 | 1.056 |
| Rmeas | 0.083 | 0.032 | 1.100 |
| Rpim | 0.023 | 0.009 | 0.302 |
| Total number of observations | 288714 | 3125 | 20370 |
| Number of reflections | 21945 | 296 | 1549 |
| <I/σ(I)> | 19 | 58.9 | 2.7 |
| Completeness [%] | 99.8 | 97.2 | 97.2 |
| Redundancy | 13.2 | 10.6 | 13.2 |
| CC(1/2) | 0.999 | 1.000 | 0.738 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.1 M HEPES pH 7.5, 0.2 M MgCl2, 15% (w/v) PEG 400 |
