172d
;MULTIPLE BINDING MODES OF ANTICANCER DRUG ACTINOMYCIN D: X-RAY, MOLECULAR MODELING, AND SPECTROSCOPIC STUDIES OF D(GAAGCTTC)2-ACTINOMYCIN D COMPLEXES AND ITS HOST DNA ;
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 172d |
| deposition_date | 1994-04-18 |
| title | ;MULTIPLE BINDING MODES OF ANTICANCER DRUG ACTINOMYCIN D: X-RAY, MOLECULAR MODELING, AND SPECTROSCOPIC STUDIES OF D(GAAGCTTC)2-ACTINOMYCIN D COMPLEXES AND ITS HOST DNA ; |
| keywords | A-DNA, DOUBLE HELIX, DNA; DNA |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 15.33 Å |
| rg_electron | 15.04 Å |
| i0 | 4567930.00 |
| molecular_weight | 9663.0 kDa |
| excluded_volume | 9439 ų |
| envelope_volume | 13282 ų |
| shell_volume | 8499 ų |
| envelope_diameter | 53.1 Å |
| shell_rg | 18.77 Å |
| envelope_rg | 15.22 Å |
| shape_rg | 14.95 Å |
| total_rg | 15.69 Å |
| total_atoms | 644 |
| n_residues | 32 |
| n_harmonics | 20 |
| q_range | — – 0.5000 Å−1 |
| n_points | 101 |
| shell_type | directional |
| solvent_density | 0.3340 e/ų |
| contrast_shell | 0.0300 e/ų |
| crysol_version | 4.1.3 |
3. P(r) Analysis (GNOM)
| dmax | 53.5 Å |
| rg_real | 15.44 Å |
| rg_real_error | 0.44 Å |
| i0_real | 4.5680e+06 |
| i0_real_error | 5.4890e+04 |
| rg_reciprocal | 15.43 Å |
| i0_reciprocal | 4568000.0000 |
| total_estimate | 0.7814 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 2 |
| r_peak_primary | 16.9 Å |
| skewness | 0.497 |
| kurtosis | -0.143 |
| angular_range | — – 0.5000 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 219500.0000 |
| n_real_points | 80 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.787; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.793; Smooth: 0.000 |