4HQA
Crystal structure of PAS domain from the human ERG (hERG) potassium channel
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-12-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.977 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 56.750, 56.750, 134.850 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.169 - 1.960 |
R-factor | 0.2023 |
Rwork | 0.201 |
R-free | 0.23940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1byw |
RMSD bond length | 0.004 |
RMSD bond angle | 0.797 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.16) |
Phasing software | PHASER |
Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.138 | 33.685 | 2.060 |
High resolution limit [Å] | 1.960 | 6.190 | 1.960 |
Rmerge | 0.045 | 0.724 | |
Rmeas | 0.047 | 0.747 | |
Rpim | 0.013 | 0.181 | |
Total number of observations | 5115 | 23033 | |
Number of reflections | 9923 | ||
<I/σ(I)> | 21.1 | 61.5 | 4.2 |
Completeness [%] | 100.0 | 99.3 | 100 |
Redundancy | 16.7 | 13 | 16.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 1.0M sodium/potassium tartrate, 0.1M Hepes, pH 7.0, vapor diffusion, sitting drop, temperature 298K |