1dfz
NMR STRUCTURE OF CONTRYPHAN-SM CYCLIC PEPTIDE (MINOR FORM-TRANS)
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1dfz |
| deposition_date | 1999-11-22 |
| title | NMR STRUCTURE OF CONTRYPHAN-SM CYCLIC PEPTIDE (MINOR FORM-TRANS) |
| keywords | CYCLIC PEPTIDE, DISULFIDE BRIDGE, D-TRYPTOPHAN, CIS-TRANS ISOMERISM, CONTRYPHAN, TOXIN; TOXIN |
| method | SOLUTION NMR |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 4.42 Å |
| rg_electron | 5.49 Å |
| i0 | 6411940.00 |
| molecular_weight | 19884.0 kDa |
| excluded_volume | 24302 ų |
| envelope_volume | 2046 ų |
| shell_volume | 3179 ų |
| envelope_diameter | 20.6 Å |
| shell_rg | 10.62 Å |
| envelope_rg | 6.85 Å |
| shape_rg | 5.52 Å |
| total_rg | 5.72 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 | 19.1 Å |
| rg_real | 4.38 Å |
| rg_real_error | 0.39 Å |
| i0_real | 6.4120e+06 |
| i0_real_error | 5.3320e+04 |
| rg_reciprocal | 4.38 Å |
| i0_reciprocal | 6412000.0000 |
| total_estimate | 0.7305 |
| solution_quality | REASONABLE a REASONABLE solution |
| n_peaks | 3 |
| r_peak_primary | 5.8 Å |
| skewness | -0.114 |
| kurtosis | -0.919 |
| angular_range | — – 0.5000 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 201.9000 |
| n_real_points | 80 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.455; Stabil: 0.984; Sysdev: 1.000; Positv: 1.000; Valcen: 0.492; Smooth: 0.685 |