166d
DRUG-DNA MINOR GROOVE RECOGNITION: CRYSTAL STRUCTURE OF GAMMA-OXAPENTAMIDINE COMPLEXED WITH D(CGCGAATTCGCG)2
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 166d |
| deposition_date | 1994-03-17 |
| title | DRUG-DNA MINOR GROOVE RECOGNITION: CRYSTAL STRUCTURE OF GAMMA-OXAPENTAMIDINE COMPLEXED WITH D(CGCGAATTCGCG)2 |
| keywords | B-DNA, DOUBLE HELIX, COMPLEXED WITH DRUG, DNA; DNA |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 13.66 Å |
| rg_electron | 13.09 Å |
| i0 | 2881100.00 |
| molecular_weight | 7655.0 kDa |
| excluded_volume | 7517 ų |
| envelope_volume | 9775 ų |
| shell_volume | 7171 ų |
| envelope_diameter | 45.6 Å |
| shell_rg | 17.16 Å |
| envelope_rg | 13.41 Å |
| shape_rg | 12.98 Å |
| total_rg | 13.86 Å |
| total_atoms | 511 |
| 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 | 46.4 Å |
| rg_real | 13.74 Å |
| rg_real_error | 0.31 Å |
| i0_real | 2.8810e+06 |
| i0_real_error | 3.4960e+04 |
| rg_reciprocal | 13.74 Å |
| i0_reciprocal | 2881000.0000 |
| total_estimate | 0.8594 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 2 |
| r_peak_primary | 14.1 Å |
| skewness | 0.477 |
| kurtosis | -0.274 |
| angular_range | — – 0.5000 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 196500.0000 |
| n_real_points | 80 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.813; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.811; Smooth: 0.917 |