7T5R
P. aeruginosa LpxA in complex with ligand H7
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 | 2019-02-06 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.310, 82.280, 221.350 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.960 - 1.950 |
| R-factor | 0.1823 |
| Rwork | 0.180 |
| R-free | 0.22170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ueg |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.507 |
| 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] | 45.960 | 45.920 | 1.980 |
| High resolution limit [Å] | 1.950 | 10.680 | 1.950 |
| Rmerge | 0.092 | 0.033 | 0.513 |
| Rmeas | 0.100 | 0.036 | 0.553 |
| Rpim | 0.038 | 0.014 | 0.205 |
| Total number of observations | 4778 | 37128 | |
| Number of reflections | 105445 | 759 | 5224 |
| <I/σ(I)> | 13.7 | 32 | 3.6 |
| Completeness [%] | 99.2 | 98.7 | 100 |
| Redundancy | 6.8 | 6.3 | 7.1 |
| CC(1/2) | 0.998 | 0.997 | 0.906 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 12% PEG 1,000, 0.2 M CaOAc, 0.1M imidazole pH 7. |
