7PZX
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 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-24 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 35.779, 67.163, 63.617 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.230 - 2.390 |
R-factor | 0.20323 |
Rwork | 0.200 |
R-free | 0.25688 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ves |
RMSD bond length | 0.008 |
RMSD bond angle | 1.527 |
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] | 46.230 | 2.450 |
High resolution limit [Å] | 2.390 | 2.390 |
Number of reflections | 12020 | 850 |
<I/σ(I)> | 3.4 | 1 |
Completeness [%] | 100.0 | |
Redundancy | 3.4 | |
CC(1/2) | 0.966 | 0.394 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 26% PEG 1500, 0.2 M NA ACETATE |