7PJ2
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 | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-01-21 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.032, 66.617, 64.028 |
| Unit cell angles | 90.00, 90.89, 90.00 |
Refinement procedure
| Resolution | 46.200 - 1.800 |
| R-factor | 0.19596 |
| Rwork | 0.194 |
| R-free | 0.23199 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ves |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.422 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.200 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 25700 | 1014 |
| <I/σ(I)> | 4.8 | |
| Completeness [%] | 91.6 | |
| Redundancy | 2.6 | |
| CC(1/2) | 0.931 | 0.563 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.2 M NA ACETATE, 20% PEG 3350 |
