3N23
Crystal structure of the high affinity complex between ouabain and the E2P form of the sodium-potassium pump
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-11-18 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.976 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 117.160, 118.930, 494.100 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.554 - 4.600 |
R-factor | 0.273 |
Rwork | 0.272 |
R-free | 0.30200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.895 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 4.800 |
High resolution limit [Å] | 4.600 | 4.600 |
Number of reflections | 39359 | |
<I/σ(I)> | 10.85 | 2.06 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 8.5 | 8.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 292 | 16% PEG 2000 MME, 10% glycerol, 0.2M magnesium chloride, 100mM MES, 1.5mM N-decanoylsucrose, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 292K |