6ZHP
Crystal structure of OmpF porin soaked in ciprofloxacin metaloantibiotic
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-02-15 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.980131 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 135.943, 135.943, 51.860 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.460 - 2.053 |
| R-factor | 0.18 |
| Rwork | 0.179 |
| R-free | 0.20680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lsf |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.108 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.21) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.460 | 47.460 | 2.110 |
| High resolution limit [Å] | 2.050 | 8.950 | 2.050 |
| Rmerge | 0.181 | 0.055 | 1.532 |
| Rmeas | 0.186 | 0.057 | 1.575 |
| Rpim | 0.042 | 0.013 | 0.359 |
| Total number of observations | 688820 | 8299 | 47387 |
| Number of reflections | 34532 | 457 | 2546 |
| <I/σ(I)> | 13 | 36.5 | 1.9 |
| Completeness [%] | 99.6 | 99 | 94.8 |
| Redundancy | 19.9 | 18.2 | 18.6 |
| CC(1/2) | 0.998 | 0.999 | 0.555 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293.15 | 22 % PEG 2000, 0.25 M MgCl2, 0.1 M Tris |
