9qsq
Mn(III)-substituted Wells-Dawson binding to Hen Egg-White Lysozyme (HEWL)
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 9qsq |
| deposition_date | 2025-04-07 |
| last_revision | 2025-09-17 |
| title | Mn(III)-substituted Wells-Dawson binding to Hen Egg-White Lysozyme (HEWL) |
| keywords | Polyoxometalate, Complex, PROTEIN BINDING; PROTEIN BINDING |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 16.64 Å |
| rg_electron | 16.10 Å |
| i0 | 17714100.00 |
| molecular_weight | 17600.0 kDa |
| excluded_volume | 13877 ų |
| envelope_volume | 21071 ų |
| shell_volume | 12413 ų |
| envelope_diameter | 55.9 Å |
| shell_rg | 20.17 Å |
| envelope_rg | 15.08 Å |
| shape_rg | 14.75 Å |
| total_rg | 17.83 Å |
| total_atoms | 1083 |
| n_residues | 129 |
| 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 | 52.9 Å |
| rg_real | 16.64 Å |
| rg_real_error | 0.38 Å |
| i0_real | 1.7710e+07 |
| i0_real_error | 2.2000e+05 |
| rg_reciprocal | 16.64 Å |
| i0_reciprocal | 17710000.0000 |
| total_estimate | 0.6254 |
| solution_quality | REASONABLE a REASONABLE solution |
| n_peaks | 3 |
| r_peak_primary | 20.6 Å |
| skewness | 0.060 |
| kurtosis | -0.673 |
| angular_range | — – 0.4800 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 38810.0000 |
| n_real_points | 78 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.736; Stabil: 1.000; Sysdev: 0.338; Positv: 1.000; Valcen: 0.907; Smooth: 0.000 |