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) |
