6I22
Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-03-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 150.180, 91.510, 99.840 |
| Unit cell angles | 90.00, 131.34, 90.00 |
Refinement procedure
| Resolution | 71.050 - 1.660 |
| R-factor | 0.20389 |
| Rwork | 0.203 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5a8b |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.660 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.050 | 1.700 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Rmerge | 0.083 | 1.029 |
| Rmeas | 0.089 | 1.201 |
| Number of reflections | 117045 | 8720 |
| <I/σ(I)> | 12 | 0.9 |
| Completeness [%] | 98.0 | 99.3 |
| Redundancy | 6.1 | 3.7 |
| CC(1/2) | 0.997 | 0.543 |
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 |
