6TK2
Femtosecond to millisecond structural changes in a light-driven sodium pump: 1ms 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 - 2.500 |
R-factor | 0.2628 |
Rwork | 0.258 |
R-free | 0.32430 |
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 | 2.660 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 13446 | 2007 |
<I/σ(I)> | 1 | |
Completeness [%] | 91.1 | 83 |
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 |