1coe
SOLUTION CONFORMATION OF COBROTOXIN: A NUCLEAR MAGNETIC RESONANCE AND HYBRID DISTANCE GEOMETRY-DYNAMICAL SIMULATED ANNEALING STUDY
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1coe |
| deposition_date | 1994-05-11 |
| title | SOLUTION CONFORMATION OF COBROTOXIN: A NUCLEAR MAGNETIC RESONANCE AND HYBRID DISTANCE GEOMETRY-DYNAMICAL SIMULATED ANNEALING STUDY |
| keywords | SHORT NEUROTOXIN; SHORT NEUROTOXIN |
| method | SOLUTION NMR |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 12.04 Å |
| rg_electron | 11.98 Å |
| i0 | 122501000.00 |
| molecular_weight | 76556.0 kDa |
| excluded_volume | 89592 ų |
| envelope_volume | 16739 ų |
| shell_volume | 10735 ų |
| envelope_diameter | 45.9 Å |
| shell_rg | 19.02 Å |
| envelope_rg | 13.98 Å |
| shape_rg | 12.00 Å |
| total_rg | 12.19 Å |
| total_atoms | 10098 |
| n_residues | 682 |
| 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 | 42.3 Å |
| rg_real | 12.06 Å |
| rg_real_error | 0.26 Å |
| i0_real | 1.2250e+08 |
| i0_real_error | 1.3040e+06 |
| rg_reciprocal | 12.06 Å |
| i0_reciprocal | 122500000.0000 |
| total_estimate | 0.8650 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 2 |
| r_peak_primary | 13.4 Å |
| skewness | 0.371 |
| kurtosis | -0.293 |
| angular_range | — – 0.5000 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 174200.0000 |
| n_real_points | 80 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.798; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.861; Smooth: 0.983 |