7OJY
Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 6
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 EIGER X 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | I 41 |
Unit cell lengths | 166.392, 166.392, 99.501 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 58.830 - 2.000 |
R-factor | 0.195 |
Rwork | 0.193 |
R-free | 0.21900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5dem |
RMSD bond length | 0.010 |
RMSD bond angle | 1.080 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | MOLREP |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 83.200 | 83.270 | 2.030 |
High resolution limit [Å] | 2.000 | 5.420 | 2.000 |
Rmerge | 0.162 | 0.068 | 1.356 |
Rmeas | 0.175 | 0.074 | 1.467 |
Rpim | 0.067 | 0.029 | 0.557 |
Number of reflections | 91413 | 4710 | 4224 |
<I/σ(I)> | 4.7 | ||
Completeness [%] | 99.7 | 100 | 93.4 |
Redundancy | 6.9 | 6.6 | 6.9 |
CC(1/2) | 0.990 | 0.979 | 0.665 |
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 |