5DWZ
Structural and functional characterization of PqsBC, a condensing enzyme in the biosynthesis of the Pseudomonas aeruginosa quinolone signal
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 93 |
| Detector technology | PIXEL |
| Collection date | 2014-10-19 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.486, 114.960, 289.675 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 144.840 - 2.040 |
| R-factor | 0.19196 |
| Rwork | 0.190 |
| R-free | 0.23699 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.814 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.600 | 2.090 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Rmerge | 0.069 | 0.696 |
| Number of reflections | 166566 | |
| <I/σ(I)> | 12.5 | 1.9 |
| Completeness [%] | 99.2 | 96.7 |
| Redundancy | 4.5 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.2 M NaCl, 0.1 M Tris pH 8.5, 255 PEG 3350 |
