3LDE
High resolution open MthK pore structure crystallized in 100 mM K+ and further soaked in 100 mM Na+.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-22 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 60.818, 60.818, 44.776 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.020 - 2.208 |
| R-factor | 0.20257 |
| Rwork | 0.202 |
| R-free | 0.20757 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | MthK pore crystallized in 100 mM K+ |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.113 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 4536 | |
| <I/σ(I)> | 37.4 | 3.2 |
| Completeness [%] | 99.4 | 100 |
| Redundancy | 10.4 | 9.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 3.0-3.5 M 1,6-Hexandiol, 100 mM HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
