7T5X
P. aeruginosa LpxA in complex with ligand L6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-10-13 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.740, 82.280, 220.560 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.220 - 2.200 |
R-factor | 0.1975 |
Rwork | 0.196 |
R-free | 0.23460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ueg |
RMSD bond length | 0.007 |
RMSD bond angle | 1.496 |
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] | 45.810 | 45.810 | 2.250 |
High resolution limit [Å] | 2.200 | 10.780 | 2.200 |
Rmerge | 0.092 | 0.031 | 0.582 |
Rmeas | 0.101 | 0.034 | 0.637 |
Rpim | 0.040 | 0.013 | 0.254 |
Total number of observations | 415442 | 4648 | 25514 |
Number of reflections | 70104 | 741 | 4253 |
<I/σ(I)> | 12.6 | 34.9 | 3.1 |
Completeness [%] | 94.2 | 98.8 | 94.3 |
Redundancy | 5.9 | 6.3 | 6 |
CC(1/2) | 0.997 | 0.993 | 0.815 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 12% PEG 1,000, 0.2 M CaOAc, 0.1 imidazole pH7 |