7D94
Crystal Structure of the Na+,K+-ATPase in the E2P state with bound one Mg2+ and one Rb+ in the presence of bufalin
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 | 2020-07-20 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.813 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 115.570, 117.310, 490.705 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 3.500 |
| R-factor | 0.2251 |
| Rwork | 0.224 |
| R-free | 0.26280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6KPZ |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.924 |
| 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] | 30.000 | 3.510 |
| High resolution limit [Å] | 3.400 | 3.400 |
| Rmerge | 0.173 | 0.542 |
| Rmeas | 0.210 | 0.767 |
| Rpim | 0.117 | 0.542 |
| Number of reflections | 90801 | 95 |
| <I/σ(I)> | 5.7 | 0.94 |
| Completeness [%] | 53.0 | 1.1 |
| Redundancy | 3.1 | 1.4 |
| CC(1/2) | 0.973 | 0.080 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 288 | 125-150 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 |
