8W76
Crystal structure of d(CGTATACG)2 duplex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL15A1 |
Synchrotron site | NSRRC |
Beamline | BL15A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-10-24 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 1.0 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 37.614, 37.614, 77.994 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.070 - 2.710 |
R-factor | 0.226 |
Rwork | 0.221 |
R-free | 0.26800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.640 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.17.1_3660: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.800 |
High resolution limit [Å] | 2.700 | 5.800 | 2.700 |
Rmerge | 0.037 | 0.123 | |
Rmeas | 0.039 | 0.129 | |
Rpim | 0.013 | 0.039 | |
Number of reflections | 1753 | 211 | 162 |
<I/σ(I)> | 25.1 | ||
Completeness [%] | 99.3 | 96.8 | 100 |
Redundancy | 9.5 | 7.8 | 10.5 |
CC(1/2) | 0.999 | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.0mM Oligonucleotides, 50mM Bis-tris (pH 7.0), 20mM sodium chloride, 10mM calcium chloride, 80mM potassium chloride, 7mM manganese(II) chloride tetrahydrate, 10% PEG 2000, 50% Reservior PEG 2000 |