7T5Z
P. aeruginosa LpxA in complex with ligand L8
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-04-11 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9793 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.830, 82.850, 221.210 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.040 - 2.250 |
R-factor | 0.1922 |
Rwork | 0.190 |
R-free | 0.22730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ueg |
RMSD bond length | 0.007 |
RMSD bond angle | 1.417 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.7.7) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.040 | 46.000 | 2.310 |
High resolution limit [Å] | 2.250 | 9.810 | 2.250 |
Rmerge | 0.092 | 0.048 | 0.616 |
Rmeas | 0.103 | 0.053 | 0.685 |
Rpim | 0.045 | 0.023 | 0.294 |
Total number of observations | 4247 | 18186 | |
Number of reflections | 56934 | 952 | 3626 |
<I/σ(I)> | 11.6 | 26.2 | 2.7 |
Completeness [%] | 80.5 | 97.7 | 67.1 |
Redundancy | 4.8 | 4.5 | 5 |
CC(1/2) | 0.996 | 0.997 | 0.814 |
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 |