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 |