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 |