6UEC
Pseudomonas aeruginosa LpxD Complex Structure with Ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 80 |
Detector technology | CCD |
Collection date | 2017-11-28 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9792 |
Spacegroup name | H 3 |
Unit cell lengths | 104.764, 104.764, 95.967 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.990 - 2.600 |
R-factor | 0.2128 |
Rwork | 0.209 |
R-free | 0.28850 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.696 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.990 | 2.693 |
High resolution limit [Å] | 2.600 | 2.601 |
Rmerge | 0.105 | |
Number of reflections | 12038 | 1223 |
<I/σ(I)> | 3.4 | |
Completeness [%] | 99.6 | |
Redundancy | 2.6 | |
CC(1/2) | 0.568 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 12% PEG 3350 0.2M Magnesium Acetate |