7PZW
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 | 35.432, 66.593, 62.884 |
Unit cell angles | 90.00, 91.24, 90.00 |
Refinement procedure
Resolution | 62.870 - 2.000 |
R-factor | 0.19687 |
Rwork | 0.194 |
R-free | 0.24126 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ves |
RMSD bond length | 0.009 |
RMSD bond angle | 1.643 |
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 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 19507 | 1421 |
<I/σ(I)> | 4.2 | 1.1 |
Completeness [%] | 98.3 | |
Redundancy | 3.4 | |
CC(1/2) | 0.990 | 0.438 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 26% PEG 3350, 0.2 M NA FORMATE |