5JZQ
Ultrahigh-resolution centrosymmetric crystal structure of Z-DNA reveals massive presence of multiple conformations
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-03-29 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.7999 |
Spacegroup name | C 1 2/c 1 |
Unit cell lengths | 81.300, 17.610, 36.490 |
Unit cell angles | 90.00, 106.73, 90.00 |
Refinement procedure
Resolution | 38.930 - 0.780 |
R-factor | 0.1399 |
Rwork | 0.139 |
R-free | 0.14250 |
Structure solution method | AB INITIO PHASING |
RMSD bond length | 0.017 |
RMSD bond angle | 1.776 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELXS |
Refinement software | SHELXL (2014/7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.930 | 0.800 |
High resolution limit [Å] | 0.780 | 0.780 |
Rmerge | 0.034 | 0.403 |
Number of reflections | 53660 | |
<I/σ(I)> | 25.75 | 3.12 |
Completeness [%] | 95.5 | 88.4 |
Redundancy | 9.01 | 4.54 |
CC(1/2) | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 292 | 1.5 MM WATER SOLUTION OF DNA MIXED 1:1 WITH 0.2 M (NH4)2OAc, 0.15 M Mg(OAc)2, 0.05 M HEPES SODIUM PH 7.0 AND 5% (W/V) PEG 4000 AND EQUILIBRATED AGAINST 0.5 ML of 5% (V/V) PEG 4000. |