8JBM
Crystal structure of Na+,K+-ATPase in the E1.Mn2+ state
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 | 2019-06-09 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 196.984, 74.426, 162.976 |
| Unit cell angles | 90.00, 116.33, 90.00 |
Refinement procedure
| Resolution | 12.000 - 2.900 |
| R-factor | 0.2263 |
| Rwork | 0.224 |
| R-free | 0.27770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.794 |
| Data reduction software | HKL-2000 |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.990 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.107 | 0.382 |
| Number of reflections | 54809 | 218 |
| <I/σ(I)> | 7.26 | 1.17 |
| Completeness [%] | 58.0 | 2.6 |
| Redundancy | 1.5 | 1.2 |
| CC(1/2) | 0.987 | 0.502 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 283 | 285 mM NaCl, 25 mM MgCl2, 15.4% (w/v) PEG2000MME, 7% (w/v) glycerol, 5 mM GSH, 0.1 mM DTT and 1 mg/ml butylhydroxytoluen, 100 mM MES |
