3HW9
Cation selective pathway of OmpF porin revealed by anomalous x-ray diffraction
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-06-08 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.033 |
Spacegroup name | P 63 |
Unit cell lengths | 117.545, 117.545, 121.287 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.930 - 2.610 |
R-factor | 0.23246 |
Rwork | 0.229 |
R-free | 0.30028 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2omf |
RMSD bond length | 0.037 |
RMSD bond angle | 2.795 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.690 |
High resolution limit [Å] | 2.610 | 2.610 |
Rmerge | 0.147 | 0.400 |
Number of reflections | 26020 | |
<I/σ(I)> | 28.9 | 5.51 |
Completeness [%] | 89.2 | 74.5 |
Redundancy | 6.8 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.5M NaCl, Na Phosphate pH 6.5, 0.9% BOG, 0.09% octylPOE and 14-18% PEG2000, VAPOR DIFFUSION, SITTING DROP, temperature 293K |