9G8K
Structure of K+-dependent Na+-PPase from Thermotoga maritima in complex with Ca2+ and Etidronate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-06-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.742, 111.663, 105.199 |
| Unit cell angles | 90.00, 106.67, 90.00 |
Refinement procedure
| Resolution | 80.220 - 3.150 |
| R-factor | 0.2706 |
| Rwork | 0.269 |
| R-free | 0.29420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.692 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.220 | 3.560 |
| High resolution limit [Å] | 3.150 | 3.150 |
| Rmerge | 0.098 | 1.193 |
| Rmeas | 0.099 | |
| Rpim | 0.041 | |
| Number of reflections | 19273 | 964 |
| <I/σ(I)> | 9.7 | 1.6 |
| Completeness [%] | 91.6 | 59.3 |
| Redundancy | 6.8 | 7 |
| CC(1/2) | 0.999 | 0.494 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.2 M CaCl2, 0.1 M HEPES pH 7.0, and 33 % PEG400 |
