7NNA
Toxin Import Through the Antibiotic Efflux Channel TolC
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | DIAMOND |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-17 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97932 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 47.914, 47.914, 200.488 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.630 - 1.901 |
R-factor | 0.1891 |
Rwork | 0.188 |
R-free | 0.20170 |
Structure solution method | SAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.060 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.630 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.050 | 0.433 |
Rmeas | 0.062 | 0.540 |
Rpim | 0.036 | 0.318 |
Number of reflections | 22045 | 1386 |
<I/σ(I)> | 14.3 | 3.1 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 4.8 | 4.9 |
CC(1/2) | 0.997 | 0.913 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | Condition G1 from Morpheus screen (0.1M Morpheus Carboxylic acids, 0.1M Morpheus Buffer 1 pH 6.5, 30% v/v Morpheus Precipitant Mix 1) |