7T5Z
P. aeruginosa LpxA in complex with ligand L8
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-04-11 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.830, 82.850, 221.210 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.040 - 2.250 |
| R-factor | 0.1922 |
| Rwork | 0.190 |
| R-free | 0.22730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ueg |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.417 |
| 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] | 46.040 | 46.000 | 2.310 |
| High resolution limit [Å] | 2.250 | 9.810 | 2.250 |
| Rmerge | 0.092 | 0.048 | 0.616 |
| Rmeas | 0.103 | 0.053 | 0.685 |
| Rpim | 0.045 | 0.023 | 0.294 |
| Total number of observations | 4247 | 18186 | |
| Number of reflections | 56934 | 952 | 3626 |
| <I/σ(I)> | 11.6 | 26.2 | 2.7 |
| Completeness [%] | 80.5 | 97.7 | 67.1 |
| Redundancy | 4.8 | 4.5 | 5 |
| CC(1/2) | 0.996 | 0.997 | 0.814 |
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 |
