6I48
Structure of P. aeruginosa LpxC with compound 12: (2R)-4-(6-(2-Fluoro-4-methoxyphenyl)-3-oxo-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-06-01 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.00 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 35.583, 67.018, 63.080 |
Unit cell angles | 90.00, 90.76, 90.00 |
Refinement procedure
Resolution | 45.931 - 2.196 |
Rwork | 0.216 |
R-free | 0.26880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ves |
RMSD bond length | 0.009 |
RMSD bond angle | 1.812 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238 2018/15/10) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.931 | 2.330 |
High resolution limit [Å] | 2.196 | 2.200 |
Rmerge | 0.165 | |
Number of reflections | 28187 | |
<I/σ(I)> | 3.9 | 0.5 |
Completeness [%] | 94.8 | 90.7 |
Redundancy | 1.78 | |
CC(1/2) | 0.983 | 0.161 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 26-30% (w/v) PEG 4000, 0.1 M Tris pH 8.5 |