7T5X
P. aeruginosa LpxA in complex with ligand L6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-10-13 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.740, 82.280, 220.560 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.220 - 2.200 |
| R-factor | 0.1975 |
| Rwork | 0.196 |
| R-free | 0.23460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ueg |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.496 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.810 | 45.810 | 2.250 |
| High resolution limit [Å] | 2.200 | 10.780 | 2.200 |
| Rmerge | 0.092 | 0.031 | 0.582 |
| Rmeas | 0.101 | 0.034 | 0.637 |
| Rpim | 0.040 | 0.013 | 0.254 |
| Total number of observations | 415442 | 4648 | 25514 |
| Number of reflections | 70104 | 741 | 4253 |
| <I/σ(I)> | 12.6 | 34.9 | 3.1 |
| Completeness [%] | 94.2 | 98.8 | 94.3 |
| Redundancy | 5.9 | 6.3 | 6 |
| CC(1/2) | 0.997 | 0.993 | 0.815 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 12% PEG 1,000, 0.2 M CaOAc, 0.1 imidazole pH7 |
