6ZHV
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) | 0.98013 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 77.029, 112.005, 131.568 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.296 - 1.945 |
| R-factor | 0.1994 |
| Rwork | 0.198 |
| R-free | 0.23260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lsf |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.156 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.21) |
| Phasing software | PHASER (2.6.1) |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.680 | 45.680 | 1.980 |
| High resolution limit [Å] | 1.945 | 10.110 | 1.950 |
| Rmerge | 0.105 | 0.043 | 1.643 |
| Rmeas | 0.109 | 0.045 | 1.717 |
| Rpim | 0.029 | 0.014 | 0.486 |
| Total number of observations | 7508 | 48844 | |
| Number of reflections | 83824 | 698 | 4162 |
| <I/σ(I)> | 15 | 40.5 | 1.3 |
| Completeness [%] | 99.5 | 99 | 91.4 |
| Redundancy | 13.5 | 10.8 | 11.7 |
| CC(1/2) | 0.999 | 0.999 | 0.686 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293.15 | 50% PEG 200, 0.2 M MgCl2, 0.1 M NaCacodylate |
