9tau
De novo photoenzyme variant ABLE-E116C-TXT V111H-L53A (photoABLE2 precursor) in complex with substrate
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 9tau |
| deposition_date | 2025-11-18 |
| last_revision | 2026-03-25 |
| title | De novo photoenzyme variant ABLE-E116C-TXT V111H-L53A (photoABLE2 precursor) in complex with substrate |
| keywords | Photoenzym, De novo protein scaffold, Thioxanthon, [2+2] Photocycloaddition, DE NOVO PROTEIN; DE NOVO PROTEIN |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 16.23 Å |
| rg_electron | 15.51 Å |
| i0 | 6515920.00 |
| molecular_weight | 12445.0 kDa |
| excluded_volume | 11955 ų |
| envelope_volume | 19074 ų |
| shell_volume | 11243 ų |
| envelope_diameter | 57.0 Å |
| shell_rg | 20.09 Å |
| envelope_rg | 15.83 Å |
| shape_rg | 15.47 Å |
| total_rg | 16.23 Å |
| total_atoms | 940 |
| n_residues | 120 |
| 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 | 58.4 Å |
| rg_real | 16.32 Å |
| rg_real_error | 0.47 Å |
| i0_real | 6.5160e+06 |
| i0_real_error | 8.1590e+04 |
| rg_reciprocal | 16.31 Å |
| i0_reciprocal | 6516000.0000 |
| total_estimate | 0.8227 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 2 |
| r_peak_primary | 17.2 Å |
| skewness | 0.523 |
| kurtosis | -0.118 |
| angular_range | — – 0.4900 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 1199000.0000 |
| n_real_points | 79 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.613; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.870; Smooth: 0.983 |