1d63
;CRYSTAL STRUCTURE OF A BERENIL-D(CGCAAATTTGCG) COMPLEX; AN EXAMPLE OF DRUG-DNA RECOGNITION BASED ON SEQUENCE-DEPENDENT STRUCTURAL FEATURES ;
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1d63 |
| deposition_date | 1992-03-02 |
| title | ;CRYSTAL STRUCTURE OF A BERENIL-D(CGCAAATTTGCG) COMPLEX; AN EXAMPLE OF DRUG-DNA RECOGNITION BASED ON SEQUENCE-DEPENDENT STRUCTURAL FEATURES ; |
| keywords | B-DNA, DOUBLE HELIX, COMPLEXED WITH DRUG, DNA; DNA |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 13.67 Å |
| rg_electron | 13.11 Å |
| i0 | 2896870.00 |
| molecular_weight | 7617.0 kDa |
| excluded_volume | 7456 ų |
| envelope_volume | 9976 ų |
| shell_volume | 7282 ų |
| envelope_diameter | 46.0 Å |
| shell_rg | 17.21 Å |
| envelope_rg | 13.38 Å |
| shape_rg | 12.99 Å |
| total_rg | 13.91 Å |
| total_atoms | 508 |
| 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 | 46.6 Å |
| rg_real | 13.75 Å |
| rg_real_error | 0.31 Å |
| i0_real | 2.8970e+06 |
| i0_real_error | 3.2650e+04 |
| rg_reciprocal | 13.74 Å |
| i0_reciprocal | 2897000.0000 |
| total_estimate | 0.8617 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 2 |
| r_peak_primary | 14.2 Å |
| skewness | 0.462 |
| kurtosis | -0.286 |
| angular_range | — – 0.5000 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 210600.0000 |
| n_real_points | 80 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.804; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.830; Smooth: 0.956 |