1dfy
NMR STRUCTURE OF CONTRYPHAN-SM CYCLIC PEPTIDE (MAJOR FORM-CIS)
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1dfy |
| deposition_date | 1999-11-22 |
| title | NMR STRUCTURE OF CONTRYPHAN-SM CYCLIC PEPTIDE (MAJOR FORM-CIS) |
| keywords | CYCLIC PEPTIDE, DISULFIDE BRIDGE, D-TRYPTOPHAN, CIS-TRANS ISOMERISM, CONTRYPHAN, TOXIN; TOXIN |
| method | SOLUTION NMR |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 4.34 Å |
| rg_electron | 5.14 Å |
| i0 | 6319400.00 |
| molecular_weight | 19884.0 kDa |
| excluded_volume | 24302 ų |
| envelope_volume | 1468 ų |
| shell_volume | 2722 ų |
| envelope_diameter | 16.9 Å |
| shell_rg | 9.60 Å |
| envelope_rg | 5.78 Å |
| shape_rg | 5.17 Å |
| total_rg | 5.28 Å |
| total_atoms | 2520 |
| n_residues | 100 |
| 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 | 16.9 Å |
| rg_real | 4.25 Å |
| rg_real_error | 0.36 Å |
| i0_real | 6.3190e+06 |
| i0_real_error | 5.1730e+04 |
| rg_reciprocal | 4.25 Å |
| i0_reciprocal | 6319000.0000 |
| total_estimate | 0.7885 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 2 |
| r_peak_primary | 6.8 Å |
| skewness | -1.190 |
| kurtosis | -3.649 |
| angular_range | — – 0.5000 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 180.8000 |
| n_real_points | 80 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.534; Stabil: 0.981; Sysdev: 1.000; Positv: 1.000; Valcen: 0.874; Smooth: 0.827 |