6I25
Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-05-12 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 106.287, 106.287, 67.859 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 54.620 - 1.970 |
| R-factor | 0.17901 |
| Rwork | 0.177 |
| R-free | 0.22230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5a8b |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.697 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.620 | 2.020 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Number of reflections | 16503 | |
| <I/σ(I)> | 7.9 | |
| Completeness [%] | 100.0 | |
| Redundancy | 20.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.5-3 M Na malonate, 0.1 M Tris.acetate |
