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 |