6BGB
Crystal Structure of the 16mer GCAGNCUUAAGUCUGC containing BrPh 7-triazolyl-8-aza-7-deazaadenosine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-19 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.11583 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 74.640, 43.150, 48.940 |
Unit cell angles | 90.00, 120.46, 90.00 |
Refinement procedure
Resolution | 42.187 - 1.650 |
R-factor | 0.2188 |
Rwork | 0.217 |
R-free | 0.25580 |
Structure solution method | MAD |
RMSD bond length | 0.004 |
RMSD bond angle | 1.967 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.690 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.028 | 0.218 |
Rmeas | 0.031 | 0.248 |
Number of reflections | 15214 | 695 |
<I/σ(I)> | 22.5 | 3.33 |
Completeness [%] | 92.9 | 57.4 |
Redundancy | 6.2 | 4.4 |
CC(1/2) | 0.999 | 0.994 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 310.15 | RNA in 10% v/v MPD, 12 mM spermine, 80 mM potassium chloride, 20 mM magnesium chloride, 40 mM sodium cacodylate, pH 7.0, equilibrated against reservoir of 35% v/v MPD |