8JBL
Crystal structure of Na+,K+-ATPase in the E1.Mg2+ 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 | 2020-07-07 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 196.797, 74.319, 163.553 |
| Unit cell angles | 90.00, 116.29, 90.00 |
Refinement procedure
| Resolution | 11.990 - 3.000 |
| R-factor | 0.2356 |
| Rwork | 0.233 |
| R-free | 0.28230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8jbk |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.777 |
| 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 | 3.100 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.174 | 0.603 |
| Number of reflections | 46000 | 320 |
| <I/σ(I)> | 7.03 | 1.34 |
| Completeness [%] | 53.7 | 4.1 |
| Redundancy | 3.5 | 1.6 |
| CC(1/2) | 0.973 | 0.283 |
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 |
