6QIR
Crystal structure of CAG repeats with synthetic CMBL3a compound (model I)
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 | 2017-05-27 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9171 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 77.024, 46.747, 54.811 |
| Unit cell angles | 90.00, 129.72, 90.00 |
Refinement procedure
| Resolution | 42.158 - 1.531 |
| R-factor | 0.1793 |
| Rwork | 0.177 |
| R-free | 0.23270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6qiq |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.456 |
| 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] | 42.158 | 1.620 |
| High resolution limit [Å] | 1.530 | 1.530 |
| Rmerge | 0.041 | 1.241 |
| Number of reflections | 43700 | 6954 |
| <I/σ(I)> | 11.9 | 0.8 |
| Completeness [%] | 97.4 | 96.2 |
| Redundancy | 3.5 | |
| CC(1/2) | 0.990 | 0.872 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 292 | 10mM MgCl2 and 1M Li2SO4 |
