9TAD
mCoral: a mCherry variant with cysteine replacing methionine in the chromophore
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE VMXi |
| Synchrotron site | Diamond |
| Beamline | VMXi |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2021-09-30 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.7749 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.760, 43.182, 63.095 |
| Unit cell angles | 90.00, 114.91, 90.00 |
Refinement procedure
| Resolution | 45.460 - 2.040 |
| R-factor | 0.16979 |
| Rwork | 0.166 |
| R-free | 0.21050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.553 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.460 | 2.100 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Rmerge | 0.091 | 0.467 |
| Rmeas | 0.128 | 0.661 |
| Rpim | 0.091 | 0.467 |
| Total number of observations | 27152 | 2107 |
| Number of reflections | 14902 | 1149 |
| <I/σ(I)> | 20.5 | 4.7 |
| Completeness [%] | 97.3 | |
| Redundancy | 1.8 | 1.8 |
| CC(1/2) | 0.980 | 0.413 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.2 M Magnesium chloride, 0.1 M Tris buffer, pH 8, Glycerol 10 % v/v, 25% PEG 6-10kD smear |
