7OJW
Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 93
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-03-05 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | I 41 |
Unit cell lengths | 167.340, 167.340, 98.050 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.920 - 1.720 |
R-factor | 0.182 |
Rwork | 0.182 |
R-free | 0.19600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5dem |
RMSD bond length | 0.010 |
RMSD bond angle | 1.040 |
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] | 59.160 | 59.200 | 1.750 |
High resolution limit [Å] | 1.720 | 4.670 | 1.720 |
Rmeas | 0.102 | 0.048 | 2.531 |
Rpim | 0.040 | 0.019 | 1.049 |
Number of reflections | 143052 | 7283 | 7142 |
<I/σ(I)> | 11.1 | 29.1 | 1.1 |
Completeness [%] | 100.0 | 99.5 | 100 |
Redundancy | 6.6 | 6.3 | 5.7 |
CC(1/2) | 0.998 | 0.998 | 0.298 |
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 |