7T5S
P. aeruginosa LpxA in complex with ligand H16
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-27 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.688800 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 80.230, 82.690, 221.650 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.460 - 3.000 |
| R-factor | 0.2065 |
| Rwork | 0.204 |
| R-free | 0.25880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ueg |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.262 |
| 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] | 45.460 | 45.420 | 3.180 |
| High resolution limit [Å] | 3.000 | 9.000 | 3.000 |
| Rmerge | 0.141 | 0.070 | 0.502 |
| Rmeas | 0.159 | 0.077 | 0.597 |
| Rpim | 0.070 | 0.030 | 0.314 |
| Total number of observations | 4853 | 12410 | |
| Number of reflections | 25934 | 1012 | 4163 |
| <I/σ(I)> | 5.8 | 11.4 | 2 |
| Completeness [%] | 86.7 | 84 | 87.2 |
| Redundancy | 4.1 | 4.8 | 3 |
| CC(1/2) | 0.988 | 0.995 | 0.721 |
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 pH7 |
