6A85
Crystal structure of a novel DNA quadruplex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-10-10 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 37.822, 46.651, 51.311 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.496 - 1.450 |
R-factor | 0.138 |
Rwork | 0.136 |
R-free | 0.16890 |
Structure solution method | SAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.169 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | HKL2Map |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.500 |
High resolution limit [Å] | 1.450 | 1.450 |
Number of reflections | 16016 | 1424 |
<I/σ(I)> | 64.8 | |
Completeness [%] | 96.1 | 87.3 |
Redundancy | 12.8 | 11.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 10.5 | 290 | 100mM CAPS-NaOH pH 10.5, 200mM Li2SO4, 2.0M (NH4)2SO4 |