6I47
Structure of P. aeruginosa LpxC with compound 10: (2RS)-4-(5-(2-Fluoro-4-methoxyphenyl)-1-oxoisoindolin-2-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 | 2015-06-01 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.00 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 36.279, 66.503, 63.452 |
Unit cell angles | 90.00, 90.76, 90.00 |
Refinement procedure
Resolution | 45.906 - 1.900 |
Rwork | 0.203 |
R-free | 0.25790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ves |
RMSD bond length | 0.008 |
RMSD bond angle | 1.637 |
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] | 45.906 | 2.010 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.095 | 0.732 |
Number of reflections | 42579 | |
<I/σ(I)> | 6.6 | |
Completeness [%] | 91.1 | |
Redundancy | 1.86 | |
CC(1/2) | 0.994 | 0.405 |
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 |