7OQ1
NaK S-ELM mutant with Na+ and K+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-08-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.033 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 81.214, 87.277, 48.980 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.450 - 1.850 |
| R-factor | 0.1624 |
| Rwork | 0.160 |
| R-free | 0.18620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3e86 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.824 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.450 | 1.916 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.033 | 0.445 |
| Rmeas | 0.046 | 0.629 |
| Rpim | 0.033 | 0.445 |
| Number of reflections | 15103 | 1357 |
| <I/σ(I)> | 11.46 | 1.6 |
| Completeness [%] | 99.1 | 91.07 |
| Redundancy | 2 | 1.9 |
| CC(1/2) | 0.999 | 0.693 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 100 mM HEPES (NaOH) pH 7.5, 47% MPD (2-Methyl-2,4-pentanediol racemate) |
