8XPB
Crystal structure of d(ACGCCGT/ACGGCGT) in complex with Echinomycin
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 | 2018-05-20 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 31 1 2 |
| Unit cell lengths | 46.317, 46.317, 47.971 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.860 - 2.000 |
| R-factor | 0.2116 |
| Rwork | 0.211 |
| R-free | 0.21590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 2.061 |
| 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 | 2.070 |
| High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
| Rmerge | 0.049 | 0.026 | 0.483 |
| Rmeas | 0.027 | 0.508 | |
| Rpim | 0.008 | 0.156 | |
| Number of reflections | 4107 | 441 | 410 |
| <I/σ(I)> | 11.6 | ||
| Completeness [%] | 100.0 | 99.5 | 100 |
| Redundancy | 10.8 | 10.2 | 10.4 |
| CC(1/2) | 1.000 | 0.978 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 20mM MES (pH 6), 10mM Spermine HCl, 1% PEG 200, 10mM MnCl2 |
