1b60
;3,N4-ETHENO-2'-DEOXYCYTIDINE OPPOSITE CYTIDINE IN AN 11-MER DUPLEX, SOLUTION STRUCTURE FROM NMR AND MOLECULAR DYNAMICS ;
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1b60 |
| deposition_date | 1999-01-20 |
| title | ;3,N4-ETHENO-2'-DEOXYCYTIDINE OPPOSITE CYTIDINE IN AN 11-MER DUPLEX, SOLUTION STRUCTURE FROM NMR AND MOLECULAR DYNAMICS ; |
| keywords | ETHENODC, EDC, EXOCYCLIC LESION, DNA; DNA |
| method | SOLUTION NMR |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 12.28 Å |
| rg_electron | 11.51 Å |
| i0 | 2344590.00 |
| molecular_weight | 6677.0 kDa |
| excluded_volume | 6494 ų |
| envelope_volume | 8562 ų |
| shell_volume | 6903 ų |
| envelope_diameter | 36.9 Å |
| shell_rg | 15.95 Å |
| envelope_rg | 11.53 Å |
| shape_rg | 11.36 Å |
| total_rg | 12.48 Å |
| total_atoms | 694 |
| 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 | 41.1 Å |
| rg_real | 12.23 Å |
| rg_real_error | 0.34 Å |
| i0_real | 2.3450e+06 |
| i0_real_error | 2.5860e+04 |
| rg_reciprocal | 12.24 Å |
| i0_reciprocal | 2345000.0000 |
| total_estimate | 0.8895 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 2 |
| r_peak_primary | 14.6 Å |
| skewness | 0.179 |
| kurtosis | -0.453 |
| angular_range | — – 0.5000 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 124100.0000 |
| n_real_points | 80 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.859; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.988; Smooth: 0.995 |