1da4
;Solution structure of a DNA duplex containing the CIS-PT(NH3)2[D(-GTG-)-N7-(G)-N7(G)N7(G)]Adduct as determined with high field NMR and molecular mechanics/dynamics ;
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1da4 |
| deposition_date | 1993-01-13 |
| title | ;Solution structure of a DNA duplex containing the CIS-PT(NH3)2[D(-GTG-)-N7-(G)-N7(G)N7(G)]Adduct as determined with high field NMR and molecular mechanics/dynamics ; |
| keywords | DNA; DNA |
| method | SOLUTION NMR |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 14.22 Å |
| rg_electron | 14.12 Å |
| i0 | 12838000.00 |
| molecular_weight | 16577.0 kDa |
| excluded_volume | 15661 ų |
| envelope_volume | 11726 ų |
| shell_volume | 7867 ų |
| envelope_diameter | 49.4 Å |
| shell_rg | 18.14 Å |
| envelope_rg | 14.52 Å |
| shape_rg | 14.07 Å |
| total_rg | 14.51 Å |
| total_atoms | 1668 |
| n_residues | 52 |
| 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 | 48.8 Å |
| rg_real | 14.36 Å |
| rg_real_error | 0.44 Å |
| i0_real | 1.2840e+07 |
| i0_real_error | 1.5450e+05 |
| rg_reciprocal | 14.35 Å |
| i0_reciprocal | 12840000.0000 |
| total_estimate | 0.8521 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 2 |
| r_peak_primary | 13.6 Å |
| skewness | 0.515 |
| kurtosis | -0.255 |
| angular_range | — – 0.5000 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 215500.0000 |
| n_real_points | 80 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.809; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.662; Smooth: 0.985 |