8RJO
Serial femtosecond X-ray structure of a fluorescence optimized bathy phytochrome PAiRFP2 derived from wild-type Agp2 in I1 intermediate state.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SLAC LCLS BEAMLINE MFX |
| Synchrotron site | SLAC LCLS |
| Beamline | MFX |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2018-05-06 |
| Detector | RAYONIX MX170-HS |
| Wavelength(s) | 1.30042 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 185.086, 185.086, 182.279 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.410 - 2.540 |
| R-factor | 0.20663 |
| Rwork | 0.206 |
| R-free | 0.23574 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.304 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.410 | 2.610 |
| High resolution limit [Å] | 2.540 | 2.540 |
| Number of reflections | 61030 | 3356 |
| <I/σ(I)> | 24.3 | |
| Completeness [%] | 99.8 | |
| Redundancy | 98.4 | |
| CC(1/2) | 0.841 | 0.062 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 279 | 1.0 - 2.2 M ammonium sulphate, 2 - 12% PEG 1000, 0.1 M HEPES pH 6.8 - 7.7, 0.025% low-melt agarose |
