9z5y
Crystal structure of Bothrops pirajai myotoxin I PrTX-I complexed with inhibitor AZD2716
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 9z5y |
| deposition_date | 2025-11-13 |
| last_revision | 2026-04-22 |
| title | Crystal structure of Bothrops pirajai myotoxin I PrTX-I complexed with inhibitor AZD2716 |
| keywords | Bothrops pirajai, PrTX-I, Piratoxin I, Phospholipase A2-like, AZD2716, TOXIN; TOXIN |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 19.37 Å |
| rg_electron | 18.54 Å |
| i0 | 27199900.00 |
| molecular_weight | 26147.0 kDa |
| excluded_volume | 24902 ų |
| envelope_volume | 40062 ų |
| shell_volume | 18235 ų |
| envelope_diameter | 69.0 Å |
| shell_rg | 24.61 Å |
| envelope_rg | 18.72 Å |
| shape_rg | 18.51 Å |
| total_rg | 19.20 Å |
| total_atoms | 1940 |
| n_residues | 242 |
| 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 | 64.9 Å |
| rg_real | 19.28 Å |
| rg_real_error | 0.48 Å |
| i0_real | 2.7200e+07 |
| i0_real_error | 3.3390e+05 |
| rg_reciprocal | 19.30 Å |
| i0_reciprocal | 27200000.0000 |
| total_estimate | 0.7981 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 3 |
| r_peak_primary | 26.5 Å |
| skewness | 0.209 |
| kurtosis | -0.296 |
| angular_range | — – 0.4100 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 8039000.0000 |
| n_real_points | 72 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.795; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.987; Smooth: 0.000 |