9va0
Solution NMR structures of hTERT DNA G-quadruplexes (G4s) in complex with small molecule CPT-11
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 9va0 |
| deposition_date | 2025-06-02 |
| title | Solution NMR structures of hTERT DNA G-quadruplexes (G4s) in complex with small molecule CPT-11 |
| keywords | G-quadruplexes, Topoisomerase I, CPT-11, Irinotecan, DNA; DNA |
| method | SOLUTION NMR |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 11.14 Å |
| rg_electron | 10.94 Å |
| i0 | 826395000.00 |
| molecular_weight | 152130.0 kDa |
| excluded_volume | 151340 ų |
| envelope_volume | 11105 ų |
| shell_volume | 8442 ų |
| envelope_diameter | 40.4 Å |
| shell_rg | 16.84 Å |
| envelope_rg | 12.03 Å |
| shape_rg | 10.82 Å |
| total_rg | 11.20 Å |
| total_atoms | 15840 |
| n_residues | 440 |
| 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 | 36.2 Å |
| rg_real | 11.11 Å |
| rg_real_error | 0.22 Å |
| i0_real | 8.2640e+08 |
| i0_real_error | 7.6140e+06 |
| rg_reciprocal | 11.11 Å |
| i0_reciprocal | 826400000.0000 |
| total_estimate | 0.8912 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 2 |
| r_peak_primary | 12.4 Å |
| skewness | 0.242 |
| kurtosis | -0.416 |
| angular_range | — – 0.5000 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 177800.0000 |
| n_real_points | 80 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.893; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.990; Smooth: 0.912 |