2H8P
Structure of a K channel with an amide to ester substitution in the selectivity filter
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315 |
Spacegroup name | I 4 |
Unit cell lengths | 155.884, 155.884, 75.524 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.300 - 2.250 |
R-factor | 0.233 |
Rwork | 0.233 |
R-free | 0.24200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.600 |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.000 | 2.390 |
High resolution limit [Å] | 2.250 | 2.250 |
Number of reflections | 42808 | |
<I/σ(I)> | 17.5 | 2.2 |
Completeness [%] | 98.1 | 96.3 |
Redundancy | 3.8 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 293 | 20-25% PEG 400, 50 mM Magnesium Acetate, 0.3 M KCl, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K, pH 6.50 |