9smt
Solution structure of de novo designed Kemp eliminase KABLE2.5
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 9smt |
| deposition_date | 2025-09-09 |
| last_revision | 2026-05-27 |
| title | Solution structure of de novo designed Kemp eliminase KABLE2.5 |
| keywords | Protein design, Directed evolution, Fragment screening, Fluorophore, Kemp elimination, DE NOVO PROTEIN; DE NOVO PROTEIN |
| method | SOLUTION NMR |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 15.94 Å |
| rg_electron | 15.33 Å |
| i0 | 289169000.00 |
| molecular_weight | 146520.0 kDa |
| excluded_volume | 185000 ų |
| envelope_volume | 26915 ų |
| shell_volume | 14343 ų |
| envelope_diameter | 56.7 Å |
| shell_rg | 21.75 Å |
| envelope_rg | 16.53 Å |
| shape_rg | 15.32 Å |
| total_rg | 15.53 Å |
| total_atoms | 20830 |
| n_residues | 1270 |
| 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 | 53.4 Å |
| rg_real | 16.01 Å |
| rg_real_error | 0.33 Å |
| i0_real | 2.8920e+08 |
| i0_real_error | 3.5300e+06 |
| rg_reciprocal | 16.01 Å |
| i0_reciprocal | 289200000.0000 |
| total_estimate | 0.8370 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 2 |
| r_peak_primary | 16.2 Å |
| skewness | 0.448 |
| kurtosis | -0.336 |
| angular_range | — – 0.5000 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 1117000.0000 |
| n_real_points | 80 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.666; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.913; Smooth: 0.968 |