8XP8
Crystal structure of d(ACGmCCGT/ACGGCGT) in complex with Echinomycin
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 | 2021-10-16 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 0.99984 |
Spacegroup name | P 31 1 2 |
Unit cell lengths | 46.329, 46.329, 47.954 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 16.660 - 1.640 |
R-factor | 0.2348 |
Rwork | 0.234 |
R-free | 0.24280 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.018 |
RMSD bond angle | 2.475 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 1.700 |
High resolution limit [Å] | 1.640 | 3.530 | 1.640 |
Rmerge | 0.055 | 0.048 | 0.114 |
Rmeas | 0.052 | 0.120 | |
Rpim | 0.017 | 0.038 | |
Number of reflections | 7315 | 724 | 721 |
<I/σ(I)> | 17 | ||
Completeness [%] | 98.9 | 92.3 | 100 |
Redundancy | 10.8 | 9.5 | 10.7 |
CC(1/2) | 0.998 | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 20mM MES (pH 6), 5mM Spermine HCl, 1.2% PEG 200, 10mM MnCl2 |