1d86
;STRUCTURAL CONSEQUENCES OF A CARCINOGENIC ALKYLATION LESION ON DNA: EFFECT OF O6-ETHYL-GUANINE ON THE MOLECULAR STRUCTURE OF D(CGC[E6G]AATTCGCG)-NETROPSIN COMPLEX ;
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1d86 |
| deposition_date | 1992-08-24 |
| title | ;STRUCTURAL CONSEQUENCES OF A CARCINOGENIC ALKYLATION LESION ON DNA: EFFECT OF O6-ETHYL-GUANINE ON THE MOLECULAR STRUCTURE OF D(CGC[E6G]AATTCGCG)-NETROPSIN COMPLEX ; |
| keywords | B-DNA, DOUBLE HELIX, COMPLEXED WITH DRUG, DNA; DNA |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 13.58 Å |
| rg_electron | 13.06 Å |
| i0 | 3011700.00 |
| molecular_weight | 7743.0 kDa |
| excluded_volume | 7553 ų |
| envelope_volume | 9961 ų |
| shell_volume | 7298 ų |
| envelope_diameter | 46.2 Å |
| shell_rg | 17.13 Å |
| envelope_rg | 13.40 Å |
| shape_rg | 12.95 Å |
| total_rg | 13.82 Å |
| total_atoms | 517 |
| 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 | 47.4 Å |
| rg_real | 13.67 Å |
| rg_real_error | 0.35 Å |
| i0_real | 3.0120e+06 |
| i0_real_error | 3.3000e+04 |
| rg_reciprocal | 13.66 Å |
| i0_reciprocal | 3012000.0000 |
| total_estimate | 0.8534 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 1 |
| r_peak_primary | 46.2 Å |
| skewness | 0.483 |
| kurtosis | -0.222 |
| angular_range | — – 0.5000 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 187900.0000 |
| n_real_points | 80 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.770; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.789; Smooth: 0.992 |