7PKM
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 I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-05-20 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9159 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.531, 66.810, 62.691 |
| Unit cell angles | 90.00, 90.35, 90.00 |
Refinement procedure
| Resolution | 45.760 - 2.100 |
| R-factor | 0.1822 |
| Rwork | 0.179 |
| R-free | 0.23897 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ves |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.558 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.760 | 2.160 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 16931 | 1337 |
| <I/σ(I)> | 4.1 | |
| Completeness [%] | 98.4 | |
| Redundancy | 3.4 | |
| CC(1/2) | 0.992 | 0.651 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.2 M NA ACETATE, 28% PEG 1500 |
