5HIO
Crystal Structure of PQS Response Protein PqsE in Complex with 2-aminobenzoylacetate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-04-27 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 61.124, 61.124, 145.979 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.660 - 1.900 |
| R-factor | 0.1653 |
| Rwork | 0.164 |
| R-free | 0.19790 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2q0i |
| RMSD bond length | 0.018 |
| RMSD bond angle | 0.883 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.8) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.660 | 48.660 | 1.940 |
| High resolution limit [Å] | 1.900 | 9.110 | 1.900 |
| Rmerge | 0.120 | 0.063 | 1.853 |
| Total number of observations | 496248 | 4657 | 30421 |
| Number of reflections | 25730 | ||
| <I/σ(I)> | 18.8 | 53.7 | 2 |
| Completeness [%] | 100.0 | 99.2 | 100 |
| Redundancy | 19.3 | 15.9 | 19.1 |
| CC(1/2) | 0.998 | 0.997 | 0.688 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 100 mM HEPES, 200 mM MgCl2, 31% PEG400 |
