6QIT
Crystal structure of CAG repeats with synthetic CMBL3b compound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-11-23 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.233, 50.989, 39.554 |
| Unit cell angles | 90.00, 104.06, 90.00 |
Refinement procedure
| Resolution | 29.300 - 1.501 |
| R-factor | 0.1527 |
| Rwork | 0.150 |
| R-free | 0.19520 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.484 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.300 | 1.590 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.056 | 0.752 |
| Number of reflections | 20979 | 3317 |
| <I/σ(I)> | 11 | 1.48 |
| Completeness [%] | 96.1 | 94.3 |
| Redundancy | 2.8 | 2.7 |
| CC(1/2) | 0.990 | 0.650 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 292 | 20 mM magnesium acetate and 1.7 M ammonium sulfate |
