7O8K
NmHR light state structure at 300 us after photoexcitation determined by serial femtosecond crystallography (with extrapolated, dark and light dataset)
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 | 2019-09-20 |
Detector | PSI JUNGFRAU 16M |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 104.480, 51.180, 78.330 |
Unit cell angles | 90.00, 131.78, 90.00 |
Refinement procedure
Resolution | 13.450 - 1.900 |
R-factor | 0.3072 |
Rwork | 0.305 |
R-free | 0.34440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5b2n |
Data reduction software | CrystFEL (v0.8.0) |
Data scaling software | CrystFEL (v0.8.0) |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 13.500 | 1.480 |
High resolution limit [Å] | 1.450 | 1.450 |
Number of reflections | 55736 | 4354 |
<I/σ(I)> | 4.9 | |
Completeness [%] | 99.9 | |
Redundancy | 136 | |
CC(1/2) | 0.980 | 0.400 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 4.5 | 293 | 50 mM sodium acetate (pH 4.5), 150 mM MgCl2, 100 mM NaCl, 34% PEG400 |