9u5w
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Lys181Met/Trp185Tyr/His280Ala with 2-fluoro-3-phenylpropanoic acid
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 9u5w |
| deposition_date | 2025-03-22 |
| last_revision | 2026-03-25 |
| title | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Lys181Met/Trp185Tyr/His280Ala with 2-fluoro-3-phenylpropanoic acid |
| keywords | Fluoroacetate dehalogenase, TRANSFERASE; TRANSFERASE |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 34.92 Å |
| rg_electron | 34.34 Å |
| i0 | 510659000.00 |
| molecular_weight | 123640.0 kDa |
| excluded_volume | 120300 ų |
| envelope_volume | 198560 ų |
| shell_volume | 47183 ų |
| envelope_diameter | 114.1 Å |
| shell_rg | 41.57 Å |
| envelope_rg | 34.02 Å |
| shape_rg | 34.33 Å |
| total_rg | 34.72 Å |
| total_atoms | 9398 |
| n_residues | 1187 |
| 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 | 109.5 Å |
| rg_real | 34.84 Å |
| rg_real_error | 0.73 Å |
| i0_real | 5.1070e+08 |
| i0_real_error | 8.4110e+06 |
| rg_reciprocal | 34.90 Å |
| i0_reciprocal | 510700000.0000 |
| total_estimate | 0.8876 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 2 |
| r_peak_primary | 51.1 Å |
| skewness | 0.196 |
| kurtosis | -0.544 |
| angular_range | — – 0.2250 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 1250000000.0000 |
| n_real_points | 46 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.931; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.741 |