1b5k
;3,N4-ETHENO-2'-DEOXYCYTIDINE OPPOSITE THYMIDINE IN AN 11-MER DUPLEX, SOLUTION STRUCTURE FROM NMR AND MOLECULAR DYNAMICS ;
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1b5k |
| deposition_date | 1999-01-07 |
| title | ;3,N4-ETHENO-2'-DEOXYCYTIDINE OPPOSITE THYMIDINE 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 | 12.55 Å |
| rg_electron | 11.83 Å |
| i0 | 8350900.00 |
| molecular_weight | 13383.0 kDa |
| excluded_volume | 13045 ų |
| envelope_volume | 13482 ų |
| shell_volume | 9488 ų |
| envelope_diameter | 41.6 Å |
| shell_rg | 17.74 Å |
| envelope_rg | 12.57 Å |
| shape_rg | 11.70 Å |
| total_rg | 12.74 Å |
| total_atoms | 1392 |
| n_residues | 42 |
| 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 | 42.0 Å |
| rg_real | 12.49 Å |
| rg_real_error | 0.25 Å |
| i0_real | 8.3510e+06 |
| i0_real_error | 8.7110e+04 |
| rg_reciprocal | 12.50 Å |
| i0_reciprocal | 8351000.0000 |
| total_estimate | 0.8818 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 2 |
| r_peak_primary | 15.4 Å |
| skewness | 0.199 |
| kurtosis | -0.371 |
| angular_range | — – 0.5000 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 445600.0000 |
| n_real_points | 80 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.822; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.997 |