7O8H
NmHR light state structure at 10 ns 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 - 1.800 |
| R-factor | 0.2753 |
| Rwork | 0.273 |
| R-free | 0.31880 |
| 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 (1.19.2_4158) |
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 | 55421 | 2913 |
| <I/σ(I)> | 5.3 | |
| Completeness [%] | 99.3 | |
| Redundancy | 150 | |
| CC(1/2) | 0.990 | 0.480 |
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 |
