4GUV
TetX derivatized with Xenon
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 1.5 |
| Spacegroup name | P 1 |
| Unit cell lengths | 68.710, 80.140, 87.500 |
| Unit cell angles | 111.04, 90.06, 93.29 |
Refinement procedure
| Resolution | 47.270 - 2.730 |
| R-factor | 0.18332 |
| Rwork | 0.181 |
| R-free | 0.22105 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xdo |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.683 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0116) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.800 |
| High resolution limit [Å] | 2.730 | 2.730 |
| Rmerge | 0.140 | 0.890 |
| Number of reflections | 41035 | |
| <I/σ(I)> | 11.79 | 1.74 |
| Redundancy | 3.43 | 1.83 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
