7PKK
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 | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-04-03 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.978566 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 35.550, 66.960, 62.960 |
Unit cell angles | 90.00, 90.55, 90.00 |
Refinement procedure
Resolution | 35.550 - 2.550 |
R-factor | 0.20669 |
Rwork | 0.202 |
R-free | 0.29714 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ves |
RMSD bond length | 0.009 |
RMSD bond angle | 1.722 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.550 | 2.620 |
High resolution limit [Å] | 2.550 | 2.550 |
Number of reflections | 9555 | 665 |
<I/σ(I)> | 3.7 | |
Completeness [%] | 98.3 | |
Redundancy | 3.5 | |
CC(1/2) | 0.971 | 0.493 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 293 | 0.2 M NA ACETATE, 20% PEG 1500 |