7R33
Difference-refined structure of fatty acid photodecarboxylase 20 ps following 400-nm laser irradiation of the dark-state determined by SFX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SLAC LCLS BEAMLINE CXI |
| Synchrotron site | SLAC LCLS |
| Beamline | CXI |
| Temperature [K] | 277.15 |
| Detector technology | PIXEL |
| Collection date | 2018-11-22 |
| Detector | CS-PAD CXI-1 |
| Wavelength(s) | 1.3 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.390, 60.010, 182.900 |
| Unit cell angles | 90.00, 90.60, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.000 |
| R-factor | 0.2671 |
| Rwork | 0.264 |
| R-free | 0.32010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6zh7 |
| Data reduction software | CrystFEL (v.0.8.0) |
| Data scaling software | CrystFEL (v.0.8.0) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 93060 | 6086 |
| <I/σ(I)> | 5.6 | 1.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 461 | 236 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 5.5 | 281.15 | 19% (w/v) PEG 4000, 0.1 M sodium citrate pH 5.5, 10 mM spermidine |
