7X97
Crystal structure of actinomycin D-echinomycin-d(AGCCCGT/ACGGGCT) complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE TPS 05A |
Synchrotron site | NSRRC |
Beamline | TPS 05A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-03-15 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 0.99984 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 43.452, 43.452, 139.365 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.570 - 1.950 |
R-factor | 0.234 |
Rwork | 0.229 |
R-free | 0.28200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7dq0 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX (1.9_1692) |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.057 | 0.399 |
Rmeas | 0.060 | 0.034 |
Rpim | 0.018 | 0.010 |
Total number of observations | 76141 | |
Number of reflections | 7161 | 702 |
<I/σ(I)> | 7.7 | |
Completeness [%] | 97.8 | 93.1 |
Redundancy | 12.3 | 7.8 |
CC(1/2) | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.25 mM Oligonucleotides, 0.25 mM Echinomycin, 0.125 mM Actinomycin D, 2.5 mM Sodium cacodylate (pH 6.5), 0.5 mM Spermine tetrahydrochloride, 6 mM Zinc chloride, 3.5 mM Potassium chloride, PEG200 3% (v/v), Reservoir PEG 200 (30% v/v) |