1aeq
VARIATION IN THE STRENGTH OF A CH TO O HYDROGEN BOND IN AN ARTIFICIAL PROTEIN CAVITY (2-ETHYLIMIDAZOLE)
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1aeq |
| deposition_date | 1997-02-25 |
| title | VARIATION IN THE STRENGTH OF A CH TO O HYDROGEN BOND IN AN ARTIFICIAL PROTEIN CAVITY (2-ETHYLIMIDAZOLE) |
| keywords | OXIDOREDUCTASE, PEROXIDASE, TRANSIT PEPTIDE; OXIDOREDUCTASE |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 19.53 Å |
| rg_electron | 18.46 Å |
| i0 | 19501300.00 |
| molecular_weight | 33725.0 kDa |
| excluded_volume | 42116 ų |
| envelope_volume | 47070 ų |
| shell_volume | 20834 ų |
| envelope_diameter | 66.0 Å |
| shell_rg | 25.23 Å |
| envelope_rg | 18.74 Å |
| shape_rg | 18.43 Å |
| total_rg | 19.44 Å |
| total_atoms | 2891 |
| n_residues | 291 |
| 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 | 62.1 Å |
| rg_real | 19.39 Å |
| rg_real_error | 0.41 Å |
| i0_real | 1.9500e+07 |
| i0_real_error | 2.5540e+05 |
| rg_reciprocal | 19.41 Å |
| i0_reciprocal | 19500000.0000 |
| total_estimate | 0.8096 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 3 |
| r_peak_primary | 25.4 Å |
| skewness | 0.137 |
| kurtosis | -0.386 |
| angular_range | — – 0.4050 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 5739000.0000 |
| n_real_points | 72 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.843; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.000 |