7OK2
Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 3
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 | 2019-05-27 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9999 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 247.292, 367.650, 372.076 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.450 - 2.890 |
R-factor | 0.194 |
Rwork | 0.192 |
R-free | 0.23100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5dem |
RMSD bond length | 0.010 |
RMSD bond angle | 1.260 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.580 | 2.940 |
High resolution limit [Å] | 2.890 | 2.890 |
Rmerge | 0.593 | 3.259 |
Rpim | 0.368 | 2.180 |
Number of reflections | 374109 | 18008 |
<I/σ(I)> | 3.4 | 0.6 |
Completeness [%] | 99.8 | 97.2 |
Redundancy | 6.9 | 6.2 |
CC(1/2) | 0.925 | 0.140 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 278 | 1.6 M (NH4)2SO4, 10% 1,4-Dioxane, 0.1 M MES pH 6.7 |