3FYX
The Structure of OmpF porin with a synthetic dibenzo-18-crown-6 as modulator
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 135.520, 135.520, 47.520 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.360 - 3.400 |
| R-factor | 0.25152 |
| Rwork | 0.249 |
| R-free | 0.29437 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2OMF with K16 mutated to alanine |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.300 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.360 | 3.600 |
| High resolution limit [Å] | 3.400 | 3.400 |
| Rmerge | 0.170 | 0.274 |
| Number of reflections | 6991 | |
| <I/σ(I)> | 9.5 | 5 |
| Completeness [%] | 98.8 | 97.2 |
| Redundancy | 5.4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 291 | 0.2 M CaCl2, 48% PEG 400, 0.1 M Na-HEPES, pH 7.5, VAPOR DIFFUSION, temperature 291K |
