7PKK
LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-04-03 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.978566 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.550, 66.960, 62.960 |
| Unit cell angles | 90.00, 90.55, 90.00 |
Refinement procedure
| Resolution | 35.550 - 2.550 |
| R-factor | 0.20669 |
| Rwork | 0.202 |
| R-free | 0.29714 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ves |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.722 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.550 | 2.620 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Number of reflections | 9555 | 665 |
| <I/σ(I)> | 3.7 | |
| Completeness [%] | 98.3 | |
| Redundancy | 3.5 | |
| CC(1/2) | 0.971 | 0.493 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 293 | 0.2 M NA ACETATE, 20% PEG 1500 |
