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 |
