8C0N
Crystal structure of the red form of the mTagFT fluorescent timer
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-08-25 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.800 |
Spacegroup name | P 1 2 1 |
Unit cell lengths | 60.645, 95.317, 95.383 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 95.320 - 2.900 |
R-factor | 0.2438 |
Rwork | 0.242 |
R-free | 0.27730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3m22 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.080 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | BUSTER |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 95.380 | 3.080 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.164 | 1.191 |
Rmeas | 0.206 | 1.528 |
Rpim | 0.123 | 0.945 |
Total number of observations | 61067 | 9558 |
Number of reflections | 23481 | 3823 |
<I/σ(I)> | 4.7 | 1.1 |
Completeness [%] | 97.3 | |
Redundancy | 2.6 | 2.5 |
CC(1/2) | 0.974 | 0.337 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 288 | 0,2 M Lithium sulfate, 0.1M Bis-tris pH 6.5, 27% PEG 3350. |