4QE7
Open MthK pore structure soaked in 10 mM Ba2+/100 mM Na+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-06-01 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9786 |
Spacegroup name | P 4 21 2 |
Unit cell lengths | 60.998, 60.998, 45.320 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.500 - 2.400 |
R-factor | 0.22539 |
Rwork | 0.221 |
R-free | 0.26515 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ldc |
RMSD bond length | 0.009 |
RMSD bond angle | 1.127 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASES |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.400 |
Rmerge | 0.092 |
Number of reflections | 3576 |
<I/σ(I)> | 41.2 |
Completeness [%] | 97.5 |
Redundancy | 11.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 3.0-3.5M 1,6-Hexandiol, 100mM Hepes, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |