7PHN
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 | 35.935, 66.572, 64.079 |
| Unit cell angles | 90.00, 90.60, 90.00 |
Refinement procedure
| Resolution | 35.960 - 1.900 |
| R-factor | 0.18434 |
| Rwork | 0.182 |
| R-free | 0.22293 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ves |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.398 |
| 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] | 35.960 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 23084 | 1290 |
| <I/σ(I)> | 5.5 | |
| Completeness [%] | 97.1 | |
| Redundancy | 2.7 | |
| CC(1/2) | 0.950 | 0.239 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.2 M NA FORMATE, 20% PEG 3350 |
