6TK3
Femtosecond to millisecond structural changes in a light-driven sodium pump: 30us+150us structure of KR2 with extrapolated, light and dark datasets
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SwissFEL ARAMIS BEAMLINE ESA |
| Synchrotron site | SwissFEL ARAMIS |
| Beamline | ESA |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2019-02-25 |
| Detector | PSI JUNGFRAU 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 41.540, 84.480, 235.560 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 12.357 - 2.250 |
| R-factor | 0.2713 |
| Rwork | 0.267 |
| R-free | 0.33490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3x3c |
| Data reduction software | CrystFEL (0.8.0) |
| Data scaling software | CrystFEL (0.8.0) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 12.400 | 2.350 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Number of reflections | 17917 | 1920 |
| <I/σ(I)> | 1 | |
| Completeness [%] | 88.9 | |
| Redundancy | 1 | |
| CC(1/2) | 1.000 | 1.000 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 4.4 | 291 | 200 mM Sodium Acetate pH 4.4, 150 mM MgCl2, 35% PEG 200 |
