1ewp
CRUZAIN BOUND TO MOR-LEU-HPQ
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1ewp |
| deposition_date | 2000-04-26 |
| title | CRUZAIN BOUND TO MOR-LEU-HPQ |
| keywords | cysteine protease, drug design, covalent inhibitor, cruzipain, HYDROLASE, HYDROLASE-HYDROLASE inhibitor complex; HYDROLASE/HYDROLASE inhibitor |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 16.96 Å |
| rg_electron | 16.06 Å |
| i0 | 18343300.00 |
| molecular_weight | 21467.0 kDa |
| excluded_volume | 20575 ų |
| envelope_volume | 31197 ų |
| shell_volume | 16150 ų |
| envelope_diameter | 55.9 Å |
| shell_rg | 22.33 Å |
| envelope_rg | 16.31 Å |
| shape_rg | 16.03 Å |
| total_rg | 16.85 Å |
| total_atoms | 1615 |
| n_residues | 215 |
| 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 | 54.6 Å |
| rg_real | 16.87 Å |
| rg_real_error | 0.28 Å |
| i0_real | 1.8340e+07 |
| i0_real_error | 2.0120e+05 |
| rg_reciprocal | 16.88 Å |
| i0_reciprocal | 18340000.0000 |
| total_estimate | 0.8105 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 3 |
| r_peak_primary | 21.6 Å |
| skewness | 0.199 |
| kurtosis | -0.362 |
| angular_range | — – 0.4700 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 4387000.0000 |
| n_real_points | 77 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.845; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.000 |