7T61
P. aeruginosa LpxA in complex with ligand L15
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-04-19 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.480, 82.290, 220.730 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.870 - 2.100 |
| R-factor | 0.1889 |
| Rwork | 0.188 |
| R-free | 0.21430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ueg |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.426 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.870 | 45.830 | 2.140 |
| High resolution limit [Å] | 2.100 | 10.910 | 2.100 |
| Rmerge | 0.113 | 0.040 | 0.876 |
| Rmeas | 0.119 | 0.043 | 0.927 |
| Rpim | 0.037 | 0.013 | 0.291 |
| Total number of observations | 5704 | 44633 | |
| Number of reflections | 81793 | 625 | 4572 |
| <I/σ(I)> | 12 | 29 | 2.7 |
| Completeness [%] | 96.5 | 90 | 98.9 |
| Redundancy | 9.7 | 9.1 | 9.8 |
| CC(1/2) | 0.998 | 0.999 | 0.743 |
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 |
