7T5R
P. aeruginosa LpxA in complex with ligand H7
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 | 2019-02-06 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.310, 82.280, 221.350 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.960 - 1.950 |
R-factor | 0.1823 |
Rwork | 0.180 |
R-free | 0.22170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ueg |
RMSD bond length | 0.009 |
RMSD bond angle | 1.507 |
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] | 45.960 | 45.920 | 1.980 |
High resolution limit [Å] | 1.950 | 10.680 | 1.950 |
Rmerge | 0.092 | 0.033 | 0.513 |
Rmeas | 0.100 | 0.036 | 0.553 |
Rpim | 0.038 | 0.014 | 0.205 |
Total number of observations | 4778 | 37128 | |
Number of reflections | 105445 | 759 | 5224 |
<I/σ(I)> | 13.7 | 32 | 3.6 |
Completeness [%] | 99.2 | 98.7 | 100 |
Redundancy | 6.8 | 6.3 | 7.1 |
CC(1/2) | 0.998 | 0.997 | 0.906 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 12% PEG 1,000, 0.2 M CaOAc, 0.1M imidazole pH 7. |