7Q01
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 | 2019-11-28 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.432, 67.039, 63.336 |
| Unit cell angles | 90.00, 90.30, 90.00 |
Refinement procedure
| Resolution | 46.080 - 2.010 |
| R-factor | 0.19569 |
| Rwork | 0.193 |
| R-free | 0.25334 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ves |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.464 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.080 | 2.177 |
| High resolution limit [Å] | 2.014 | 2.014 |
| Number of reflections | 13479 | 674 |
| <I/σ(I)> | 8.3 | 1.7 |
| Completeness [%] | 86.3 | |
| Redundancy | 3.2 | |
| CC(1/2) | 0.994 | 0.592 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 26% PEG 1500, 0.2 M NA ACETATE |
