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 |