2DWD
crystal structure of KcsA-FAB-TBA complex in Tl+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-06-05 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.00 |
Spacegroup name | I 4 |
Unit cell lengths | 153.180, 153.180, 75.483 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.760 - 2.600 |
R-factor | 0.241 |
Rwork | 0.219 |
R-free | 0.26300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1k4c |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.760 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.093 | |
Number of reflections | 26479 | |
Completeness [%] | 97.1 | 95.6 |
Redundancy | 3.6 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 18-25% PEG 400, 50mM MG(AC)2, 50mM NaAc(pH 5) or Na cacodylate(pH 6) or HEPES(pH 7), pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |