6JKN
Crystal Structure of G-quadruplex Formed by Bromo-substituted Human Telomeric DNA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-03-24 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.91904 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 46.252, 46.252, 120.054 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.996 - 1.401 |
R-factor | 0.1602 |
Rwork | 0.159 |
R-free | 0.18420 |
Structure solution method | SAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.854 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX (1.12_2829) |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.420 |
High resolution limit [Å] | 1.400 | 3.800 | 1.400 |
Rmerge | 0.075 | 0.053 | 1.059 |
Rmeas | 0.076 | 0.053 | 1.089 |
Rpim | 0.013 | 0.010 | 0.232 |
Number of reflections | 15673 | 935 | 677 |
<I/σ(I)> | 6.3 | ||
Completeness [%] | 99.3 | 99.5 | 91.7 |
Redundancy | 32.8 | 29.8 | 17.2 |
CC(1/2) | 0.997 | 0.869 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 6 | 289 | 0.1M sodium cacodylate pH 6.0, 80mM KCl, 12mM NaCl, 12mM spermine tetrahydrochloride, 50% MPD |