12td
Structure of de novo designed salen-binding enzyme
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 12td |
| deposition_date | 2026-04-17 |
| title | Structure of de novo designed salen-binding enzyme |
| keywords | Enzyme, salen-binding protein, helical bundle, de novo design, de novo enzyme, DE NOVO PROTEIN; DE NOVO PROTEIN |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 22.69 Å |
| rg_electron | 21.47 Å |
| i0 | 15612500.00 |
| molecular_weight | 31530.0 kDa |
| excluded_volume | 40162 ų |
| envelope_volume | 49711 ų |
| shell_volume | 19473 ų |
| envelope_diameter | 68.8 Å |
| shell_rg | 27.89 Å |
| envelope_rg | 21.07 Å |
| shape_rg | 21.44 Å |
| total_rg | 22.45 Å |
| total_atoms | 4510 |
| n_residues | 288 |
| 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 | 68.9 Å |
| rg_real | 22.60 Å |
| rg_real_error | 0.41 Å |
| i0_real | 1.5610e+07 |
| i0_real_error | 1.9190e+05 |
| rg_reciprocal | 22.62 Å |
| i0_reciprocal | 15610000.0000 |
| total_estimate | 0.9164 |
| solution_quality | EXCELLENT a EXCELLENT solution |
| n_peaks | 2 |
| r_peak_primary | 30.3 Å |
| skewness | 0.089 |
| kurtosis | -0.681 |
| angular_range | — – 0.3500 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 2846000.0000 |
| n_real_points | 67 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.971; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.997 |