6QIS
Crystal structure of CAG repeats with synthetic CMBL3a compound (model II)
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) | 0.917143 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.810, 51.154, 118.463 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.730 - 1.990 |
R-factor | 0.2412 |
Rwork | 0.239 |
R-free | 0.27670 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.187 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.730 | 2.110 |
High resolution limit [Å] | 1.990 | 1.990 |
Rmerge | 0.092 | 0.940 |
Number of reflections | 19670 | 3110 |
<I/σ(I)> | 12.2 | 2.2 |
Completeness [%] | 99.9 | 99.5 |
Redundancy | 10.1 | 10.4 |
CC(1/2) | 0.990 | 0.920 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 292 | 10mM MgCl2, 1M Li2SO4 |