8WQ7
Crystal structure of d(CGTATACG)2 with a four-carbon linker containing diacridine compound
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 | 2021-05-07 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 1.0000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 34.462, 34.490, 69.033 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.380 - 1.580 |
R-factor | 0.2214 |
Rwork | 0.218 |
R-free | 0.24570 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.209 |
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 | 1.640 |
High resolution limit [Å] | 1.580 | 3.400 | 1.580 |
Rmerge | 0.034 | 0.025 | 0.102 |
Rmeas | 0.027 | 0.111 | |
Rpim | 0.011 | 0.042 | |
Number of reflections | 5894 | 623 | 590 |
<I/σ(I)> | 34.5 | ||
Completeness [%] | 99.5 | 95.8 | 100 |
Redundancy | 6.7 | 6.3 | 7 |
CC(1/2) | 0.999 | 0.995 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.5mM oligonucleotides, 1mM compound, 200mM KCl, 6mM MnCl, 50mM MES (pH 6.3), 10% PEG 400 |