7T5S
P. aeruginosa LpxA in complex with ligand H16
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-27 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.688800 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 80.230, 82.690, 221.650 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.460 - 3.000 |
R-factor | 0.2065 |
Rwork | 0.204 |
R-free | 0.25880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ueg |
RMSD bond length | 0.004 |
RMSD bond angle | 1.262 |
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] | 45.460 | 45.420 | 3.180 |
High resolution limit [Å] | 3.000 | 9.000 | 3.000 |
Rmerge | 0.141 | 0.070 | 0.502 |
Rmeas | 0.159 | 0.077 | 0.597 |
Rpim | 0.070 | 0.030 | 0.314 |
Total number of observations | 4853 | 12410 | |
Number of reflections | 25934 | 1012 | 4163 |
<I/σ(I)> | 5.8 | 11.4 | 2 |
Completeness [%] | 86.7 | 84 | 87.2 |
Redundancy | 4.1 | 4.8 | 3 |
CC(1/2) | 0.988 | 0.995 | 0.721 |
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 pH7 |