7PZV
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 I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-07-19 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.585, 66.965, 62.874 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 62.870 - 1.920 |
| R-factor | 0.2016 |
| Rwork | 0.199 |
| R-free | 0.24832 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ves |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.610 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.870 | 1.970 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Number of reflections | 22650 | 1628 |
| <I/σ(I)> | 3.9 | 1.2 |
| Completeness [%] | 99.9 | |
| Redundancy | 3.4 | |
| CC(1/2) | 0.976 | 0.682 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 26% PEG 3350, 0.2 M NA ACETATE |
