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 |
