5AW7
Kinetics by X-ray crystallography: Rb+-substitution of bound K+ in the E2.MgF42-.2K+ crystal after 11.3 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 | 2009-05-16 |
Detector | RAYONIX MX-325 |
Wavelength(s) | 0.8130 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 219.234, 50.521, 162.571 |
Unit cell angles | 90.00, 104.27, 90.00 |
Refinement procedure
Resolution | 14.960 - 2.900 |
R-factor | 0.29 |
Rwork | 0.290 |
R-free | 0.29300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2zxe |
RMSD bond length | 0.009 |
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 | 2.970 |
High resolution limit [Å] | 2.800 | 2.900 |
Number of reflections | 42125 | |
<I/σ(I)> | 17 | |
Completeness [%] | 92.6 | |
Redundancy | 3.5 |
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 |