7OK1
Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-04-12 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | I 41 |
Unit cell lengths | 166.046, 166.046, 98.540 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.670 - 1.920 |
R-factor | 0.193 |
Rwork | 0.191 |
R-free | 0.22800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5dem |
RMSD bond length | 0.010 |
RMSD bond angle | 1.130 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | MOLREP |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 84.741 | 2.120 |
High resolution limit [Å] | 1.920 | 1.920 |
Rmerge | 0.112 | 1.132 |
Rmeas | 0.121 | 1.232 |
Rpim | 0.046 | 0.479 |
Number of reflections | 62977 | 3153 |
<I/σ(I)> | 10.6 | |
Completeness [%] | 86.5 | 35.7 |
Redundancy | 6.9 | 6.4 |
CC(1/2) | 0.999 | 0.622 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 278 | 1.5 M NH4Cl, 0.1 M Na Acetate pH 4.5 |