4JVC
Crystal structure of PqsR co-inducer binding domain
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9770 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 119.733, 119.733, 115.777 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.980 - 2.500 |
| R-factor | 0.22399 |
| Rwork | 0.222 |
| R-free | 0.26711 |
| Structure solution method | MIRAS |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.170 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 12.750 | 2.660 |
| High resolution limit [Å] | 2.500 | 7.360 | 2.500 |
| Rmerge | 0.740 | ||
| Number of reflections | 17339 | ||
| <I/σ(I)> | 2 | ||
| Completeness [%] | 99.2 | 99.6 | 99.9 |
| Redundancy | 7.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 292 | 0.1M Ammonium acetate, 0.1M Tri sodium citrate pH 6.5, 3% MPD, VAPOR DIFFUSION, SITTING DROP, temperature 292K |
