7T61
P. aeruginosa LpxA in complex with ligand L15
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-04-19 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.480, 82.290, 220.730 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.870 - 2.100 |
R-factor | 0.1889 |
Rwork | 0.188 |
R-free | 0.21430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ueg |
RMSD bond length | 0.007 |
RMSD bond angle | 1.426 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.870 | 45.830 | 2.140 |
High resolution limit [Å] | 2.100 | 10.910 | 2.100 |
Rmerge | 0.113 | 0.040 | 0.876 |
Rmeas | 0.119 | 0.043 | 0.927 |
Rpim | 0.037 | 0.013 | 0.291 |
Total number of observations | 5704 | 44633 | |
Number of reflections | 81793 | 625 | 4572 |
<I/σ(I)> | 12 | 29 | 2.7 |
Completeness [%] | 96.5 | 90 | 98.9 |
Redundancy | 9.7 | 9.1 | 9.8 |
CC(1/2) | 0.998 | 0.999 | 0.743 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 12% PEG 1,000, 0.2 M CaOAc, 0.1 M imidazole pH 7 |