7D92
Crystal Structure of the Na+,K+-ATPase in the E2P state with bound Mg2+ and anthroylouabain (P4(3)2(1)2 symmetry)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-02 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 84.234, 84.234, 646.262 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 14.940 - 3.900 |
R-factor | 0.2113 |
Rwork | 0.209 |
R-free | 0.25660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7d91 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.877 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 4.010 |
High resolution limit [Å] | 3.900 | 3.900 |
Rmerge | 0.219 | 2.077 |
Rmeas | 0.231 | 2.205 |
Rpim | 0.070 | 0.727 |
Number of reflections | 9668 | 105 |
<I/σ(I)> | 11.85 | 1.05 |
Completeness [%] | 41.5 | 6.2 |
Redundancy | 10.8 | 8.9 |
CC(1/2) | 0.999 | 0.269 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 288 | 175 mM MgCl2, 18% (w/v) PEG2000MME, 10% (w/v) glycerol, 5 mM GSH, 0.1 mM DTT and 1 mg/ml butylhydroxytoluen, 100 mM MES |