1aed
SPECIFICITY OF LIGAND BINDING TO A BURIED POLAR CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE (3,4-DIMETHYLTHIAZOLE)
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1aed |
| deposition_date | 1997-02-24 |
| title | SPECIFICITY OF LIGAND BINDING TO A BURIED POLAR CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE (3,4-DIMETHYLTHIAZOLE) |
| keywords | OXIDOREDUCTASE, PEROXIDASE, TRANSIT PEPTIDE; OXIDOREDUCTASE |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 19.52 Å |
| rg_electron | 18.45 Å |
| i0 | 19528500.00 |
| molecular_weight | 33743.0 kDa |
| excluded_volume | 42133 ų |
| envelope_volume | 47071 ų |
| shell_volume | 20834 ų |
| envelope_diameter | 66.0 Å |
| shell_rg | 25.23 Å |
| envelope_rg | 18.75 Å |
| shape_rg | 18.43 Å |
| total_rg | 19.43 Å |
| total_atoms | 2899 |
| 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 | 62.2 Å |
| rg_real | 19.38 Å |
| rg_real_error | 0.34 Å |
| i0_real | 1.9530e+07 |
| i0_real_error | 2.1140e+05 |
| rg_reciprocal | 19.40 Å |
| i0_reciprocal | 19530000.0000 |
| total_estimate | 0.6771 |
| solution_quality | REASONABLE a REASONABLE solution |
| n_peaks | 3 |
| r_peak_primary | 25.4 Å |
| skewness | 0.139 |
| kurtosis | -0.386 |
| angular_range | — – 0.4050 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 5748000.0000 |
| n_real_points | 72 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.845; Stabil: 0.998; Sysdev: 0.424; Positv: 1.000; Valcen: 0.997; Smooth: 0.000 |