171d
;SOLUTION STRUCTURE OF A DNA DODECAMER CONTAINING THE ANTI-NEOPLASTIC AGENT ARABINOSYLCYTOSINE: COMBINED USE OF NMR, RESTRAINED MOLECULAR DYNAMICS AND FULL RELAXATION MATRIX REFINEMENT ;
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 171d |
| deposition_date | 1994-03-14 |
| title | ;SOLUTION STRUCTURE OF A DNA DODECAMER CONTAINING THE ANTI-NEOPLASTIC AGENT ARABINOSYLCYTOSINE: COMBINED USE OF NMR, RESTRAINED MOLECULAR DYNAMICS AND FULL RELAXATION MATRIX REFINEMENT ; |
| keywords | DNA, ARABINOSYLCYTOSINE, ANTI-NEOPLASTIC, DODECAMER; DNA |
| method | SOLUTION NMR |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 14.04 Å |
| rg_electron | 13.53 Å |
| i0 | 2780930.00 |
| molecular_weight | 7313.0 kDa |
| excluded_volume | 7070 ų |
| envelope_volume | 10034 ų |
| shell_volume | 7040 ų |
| envelope_diameter | 47.4 Å |
| shell_rg | 17.42 Å |
| envelope_rg | 13.62 Å |
| shape_rg | 13.41 Å |
| total_rg | 14.29 Å |
| total_atoms | 758 |
| n_residues | 24 |
| 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 | 47.0 Å |
| rg_real | 14.08 Å |
| rg_real_error | 0.35 Å |
| i0_real | 2.7810e+06 |
| i0_real_error | 3.3400e+04 |
| rg_reciprocal | 14.08 Å |
| i0_reciprocal | 2781000.0000 |
| total_estimate | 0.8716 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 3 |
| r_peak_primary | 18.5 Å |
| skewness | 0.324 |
| kurtosis | -0.449 |
| angular_range | — – 0.5000 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 153100.0000 |
| n_real_points | 80 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.869; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.844; Smooth: 0.878 |