1dg0
NMR STRUCTURE OF DES[GLY1]-CONTRYPHAN-R CYCLIC PEPTIDE (MAJOR FORM)
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1dg0 |
| deposition_date | 1999-11-22 |
| title | NMR STRUCTURE OF DES[GLY1]-CONTRYPHAN-R CYCLIC PEPTIDE (MAJOR FORM) |
| keywords | CYCLIC PEPTIDE, DISULFIDE BRIDGE, D-TRYPTOPHAN, CIS-TRANS ISOMERISM, CONTRYPHAN, TOXIN; TOXIN |
| method | SOLUTION NMR |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 4.28 Å |
| rg_electron | 5.22 Å |
| i0 | 5332530.00 |
| molecular_weight | 18742.0 kDa |
| excluded_volume | 23105 ų |
| envelope_volume | 1356 ų |
| shell_volume | 2580 ų |
| envelope_diameter | 17.3 Å |
| shell_rg | 9.50 Å |
| envelope_rg | 5.75 Å |
| shape_rg | 5.23 Å |
| total_rg | 5.40 Å |
| total_atoms | 2340 |
| n_residues | 80 |
| 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 | 15.2 Å |
| rg_real | 4.21 Å |
| rg_real_error | 0.32 Å |
| i0_real | 5.3330e+06 |
| i0_real_error | 4.7720e+04 |
| rg_reciprocal | 4.21 Å |
| i0_reciprocal | 5333000.0000 |
| total_estimate | 0.7781 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 1 |
| r_peak_primary | 6.7 Å |
| skewness | -0.923 |
| kurtosis | -3.528 |
| angular_range | — – 0.5000 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 143.3000 |
| n_real_points | 80 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.758; Stabil: 0.989; Sysdev: 1.000; Positv: 1.000; Valcen: 0.868; Smooth: 0.000 |