5AW3
Kinetics by X-ray crystallography: Tl+-substitution of bound K+ in the E2.MgF42-.2K+ crystal after 100 min
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-10 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9785 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 222.183, 50.864, 164.252 |
| Unit cell angles | 90.00, 104.17, 90.00 |
Refinement procedure
| Resolution | 14.970 - 3.350 |
| R-factor | 0.302 |
| Rwork | 0.302 |
| R-free | 0.31300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zxe |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.100 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS (1.2) |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.440 |
| High resolution limit [Å] | 3.350 | 3.350 |
| Number of reflections | 26118 | |
| <I/σ(I)> | 14.2 | |
| Completeness [%] | 99.3 | |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICRODIALYSIS | 7 | 298 | PEG 3000, MPD, potassium acetate, potassium chloride, magnesium chloride, potassium fluoride, MES/TRIS |
