7OIN
Crystal structure of LSSmScarlet - a genetically encoded red fluorescent protein with a large Stokes shift
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | KURCHATOV SNC BEAMLINE K4.4 |
| Synchrotron site | KURCHATOV SNC |
| Beamline | K4.4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2021-04-12 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.75 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 84.519, 45.357, 59.042 |
| Unit cell angles | 90.00, 102.34, 90.00 |
Refinement procedure
| Resolution | 34.430 - 1.400 |
| R-factor | 0.1648 |
| Rwork | 0.164 |
| R-free | 0.18960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5lk4 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.164 |
| Data reduction software | DIALS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 34.430 | 34.430 | 1.420 |
| High resolution limit [Å] | 1.400 | 7.670 | 1.400 |
| Rmerge | 0.137 | 0.059 | 0.615 |
| Rmeas | 0.150 | 0.065 | 0.672 |
| Rpim | 0.060 | 0.027 | 0.268 |
| Total number of observations | 252698 | 1493 | 13161 |
| Number of reflections | 42242 | 272 | 2137 |
| <I/σ(I)> | 7.2 | 15.1 | 1.7 |
| Completeness [%] | 98.0 | 95.3 | 100 |
| Redundancy | 6 | 5.5 | 6.2 |
| CC(1/2) | 0.991 | 0.997 | 0.813 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 288 | 0.1M Lithium sulfate, 0.1M Ammonium acetate, 0.1 M Bis-tris pH 6.5, 23% PEG 3350 |
