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 |