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 |
