6SW1
Crystal Structure of P. aeruginosa PqsL: R41Y, I43R, G45R, C105G mutant
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 PILATUS 6M |
| Wavelength(s) | 0.96770 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.533, 65.751, 135.237 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.550 - 1.800 |
| R-factor | 0.19 |
| Rwork | 0.188 |
| R-free | 0.22160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2x3n |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.689 |
| 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] | 45.080 | 45.080 | 1.640 |
| High resolution limit [Å] | 1.610 | 8.820 | 1.610 |
| Rmerge | 0.044 | 0.032 | 0.743 |
| Rmeas | 0.049 | 0.039 | 0.817 |
| Rpim | 0.020 | 0.022 | 0.335 |
| Total number of observations | 305904 | 540 | 15738 |
| Number of reflections | 54463 | 170 | 2690 |
| <I/σ(I)> | 17.3 | 28.4 | 2.1 |
| Completeness [%] | 97.8 | 37.4 | 98.5 |
| Redundancy | 5.6 | 3.2 | 5.9 |
| CC(1/2) | 0.999 | 0.974 | 0.464 |
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. |
