9r7k
De novo designed enzyme for the Morita-Baylis-Hillman reaction (MBH61)
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 9r7k |
| deposition_date | 2025-05-14 |
| last_revision | 2026-05-27 |
| title | De novo designed enzyme for the Morita-Baylis-Hillman reaction (MBH61) |
| keywords | Morita-Baylis-Hillman enzyme, DE NOVO PROTEIN; DE NOVO PROTEIN |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 33.53 Å |
| rg_electron | 32.83 Å |
| i0 | 119951000.00 |
| molecular_weight | 87991.0 kDa |
| excluded_volume | 110620 ų |
| envelope_volume | 146170 ų |
| shell_volume | 38031 ų |
| envelope_diameter | 107.3 Å |
| shell_rg | 38.74 Å |
| envelope_rg | 32.19 Å |
| shape_rg | 32.82 Å |
| total_rg | 33.37 Å |
| total_atoms | 6226 |
| n_residues | 821 |
| 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 | 106.6 Å |
| rg_real | 33.53 Å |
| rg_real_error | 0.84 Å |
| i0_real | 1.2000e+08 |
| i0_real_error | 2.0050e+06 |
| rg_reciprocal | 33.53 Å |
| i0_reciprocal | 120000000.0000 |
| total_estimate | 0.8291 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 1 |
| r_peak_primary | 34.0 Å |
| skewness | 0.261 |
| kurtosis | -0.656 |
| angular_range | — – 0.2350 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 13670000.0000 |
| n_real_points | 48 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.932; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.977; Smooth: 0.000 |