6SW2
Crystal Structure of P. aeruginosa PqsL in complex with 2-aminobenzoylacetate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-03 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.966000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.079, 63.984, 128.101 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.310 - 1.700 |
| R-factor | 0.1752 |
| Rwork | 0.173 |
| R-free | 0.21740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2x3n |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.567 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.1) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.310 | 45.270 | 1.730 |
| High resolution limit [Å] | 1.700 | 9.000 | 1.700 |
| Rmerge | 0.075 | 0.031 | 1.419 |
| Rmeas | 0.085 | 0.035 | 1.587 |
| Rpim | 0.037 | 0.016 | 0.693 |
| Total number of observations | 1464 | 10843 | |
| Number of reflections | 43115 | 344 | 2274 |
| <I/σ(I)> | 10.1 | 34.2 | 1 |
| Completeness [%] | 99.3 | 97.1 | 99 |
| Redundancy | 4.8 | 4.3 | 4.8 |
| CC(1/2) | 0.998 | 0.999 | 0.511 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 20,000 (5-10 % w/v), MES buffer pH 6.5. |
