3GB3
X-ray structure of genetically encoded photosensitizer KillerRed in native form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 72.016, 73.682, 78.659 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.480 - 1.750 |
| R-factor | 0.189 |
| Rwork | 0.186 |
| R-free | 0.24400 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.806 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
| Rmerge | 0.042 | 0.020 | 0.754 |
| Number of reflections | 43776 | ||
| <I/σ(I)> | 35.497 | ||
| Completeness [%] | 93.4 | 99.9 | 67.8 |
| Redundancy | 5.9 | 5.9 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 2M (NH4)2SO4, 100mM Cacodylate pH=6.5, 200mM NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
