4RET
Crystal structure of the Na,K-ATPase E2P-digoxin complex with bound magnesium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-12 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 118.240, 118.350, 494.090 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.409 - 4.000 |
| R-factor | 0.2229 |
| Rwork | 0.221 |
| R-free | 0.25310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hyt |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.128 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: dev_1593)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.990 |
| High resolution limit [Å] | 3.890 | 3.890 |
| Number of reflections | 44534 | |
| <I/σ(I)> | 11.08 | 1.76 |
| Completeness [%] | 68.6 | 3.8 |
| Redundancy | 5.6 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 292 | 16% PEG2000 MME, 10% glycerol, 200 mM magnesium chloride, 100 mM MES-NMDG, pH 6.2, 25 mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
