7OKB
Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 45
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 | 2019-05-26 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 378.610, 378.610, 264.640 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 109.080 - 3.580 |
R-factor | 0.1954 |
Rwork | 0.195 |
R-free | 0.21220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5dem |
RMSD bond length | 0.013 |
RMSD bond angle | 2.287 |
Data reduction software | xia2 |
Data scaling software | Aimless (0.7.4) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 109.080 | 3.670 |
High resolution limit [Å] | 3.580 | 3.580 |
Rmerge | 0.615 | 3.469 |
Rmeas | 0.626 | 3.530 |
Rpim | 0.118 | 0.654 |
Number of reflections | 223901 | 16390 |
<I/σ(I)> | 7.3 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 27.8 | 29 |
CC(1/2) | 0.994 | 0.592 |
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 |