144d
MINOR GROOVE BINDING OF SN6999 TO AN ALKYLATED DNA: MOLECULAR STRUCTURE OF D(CGC[E6G]AATTCGCG)-SN6999 COMPLEX
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 144d |
| deposition_date | 1993-10-26 |
| title | MINOR GROOVE BINDING OF SN6999 TO AN ALKYLATED DNA: MOLECULAR STRUCTURE OF D(CGC[E6G]AATTCGCG)-SN6999 COMPLEX |
| keywords | B-DNA, DOUBLE HELIX, COMPLEXED WITH DRUG, MODIFIED, DNA; DNA |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 13.80 Å |
| rg_electron | 13.23 Å |
| i0 | 2860160.00 |
| molecular_weight | 7831.0 kDa |
| excluded_volume | 7817 ų |
| envelope_volume | 9854 ų |
| shell_volume | 7210 ų |
| envelope_diameter | 47.0 Å |
| shell_rg | 17.20 Å |
| envelope_rg | 13.68 Å |
| shape_rg | 13.10 Å |
| total_rg | 14.01 Å |
| total_atoms | 525 |
| n_residues | 22 |
| 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 | 48.1 Å |
| rg_real | 13.92 Å |
| rg_real_error | 0.40 Å |
| i0_real | 2.8600e+06 |
| i0_real_error | 3.0350e+04 |
| rg_reciprocal | 13.91 Å |
| i0_reciprocal | 2860000.0000 |
| total_estimate | 0.8408 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 1 |
| r_peak_primary | 47.5 Å |
| skewness | 0.517 |
| kurtosis | -0.255 |
| angular_range | — – 0.5000 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 178400.0000 |
| n_real_points | 80 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.740; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.724; Smooth: 0.982 |