1ag5
;THE SOLUTION STRUCTURE OF AN AFLATOXIN B1 EPOXIDE ADDUCT AT THE N7 POSITION OF GUANINE OPPOSITE AN ADENINE IN THE COMPLEMENTARY STRAND OF AN OLIGODEOXYNUCLEOTIDE DUPLEX, NMR, MINIMIZED AVERAGE STRUCTURE ;
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1ag5 |
| deposition_date | 1997-04-01 |
| title | ;THE SOLUTION STRUCTURE OF AN AFLATOXIN B1 EPOXIDE ADDUCT AT THE N7 POSITION OF GUANINE OPPOSITE AN ADENINE IN THE COMPLEMENTARY STRAND OF AN OLIGODEOXYNUCLEOTIDE DUPLEX, NMR, MINIMIZED AVERAGE STRUCTURE ; |
| keywords | AFLATOXIN B1, N7-GUANINE ADDUCT, INTERCALATION, DNA DUPLEX, DEOXYRIBONUCLEIC ACID, DNA; DNA |
| method | SOLUTION NMR |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 12.97 Å |
| rg_electron | 12.24 Å |
| i0 | 2254340.00 |
| molecular_weight | 6717.0 kDa |
| excluded_volume | 6607 ų |
| envelope_volume | 8473 ų |
| shell_volume | 6579 ų |
| envelope_diameter | 43.4 Å |
| shell_rg | 16.42 Å |
| envelope_rg | 12.37 Å |
| shape_rg | 12.07 Å |
| total_rg | 13.17 Å |
| total_atoms | 701 |
| n_residues | 21 |
| 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 | 45.6 Å |
| rg_real | 12.98 Å |
| rg_real_error | 0.45 Å |
| i0_real | 2.2540e+06 |
| i0_real_error | 2.6460e+04 |
| rg_reciprocal | 12.98 Å |
| i0_reciprocal | 2254000.0000 |
| total_estimate | 0.8710 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 2 |
| r_peak_primary | 15.0 Å |
| skewness | 0.299 |
| kurtosis | -0.377 |
| angular_range | — – 0.5000 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 90270.0000 |
| n_real_points | 80 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.824; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.875; Smooth: 0.972 |