7T60
P. aeruginosa LpxA in complex with ligand L13
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-12-10 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9789 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 80.100, 82.220, 222.010 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.040 - 2.000 |
| R-factor | 0.1933 |
| Rwork | 0.192 |
| R-free | 0.21830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ueg |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.787 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.040 | 46.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 10.950 | 2.000 |
| Rmerge | 0.082 | 0.038 | 0.803 |
| Rmeas | 0.088 | 0.040 | 0.866 |
| Rpim | 0.030 | 0.013 | 0.318 |
| Total number of observations | 6228 | 33210 | |
| Number of reflections | 98941 | 711 | 4720 |
| <I/σ(I)> | 12.6 | 30 | 1.9 |
| Completeness [%] | 99.2 | 97.9 | 97.9 |
| Redundancy | 8.3 | 8.8 | 7 |
| CC(1/2) | 0.998 | 0.998 | 0.766 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 12% PEG 1,000, 0.2 M CaOAc, 0.1 M imidazole pH 7 |
