1ewl
CRYSTAL STRUCTURE OF CRUZAIN BOUND TO WRR-99
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1ewl |
| deposition_date | 2000-04-26 |
| title | CRYSTAL STRUCTURE OF CRUZAIN BOUND TO WRR-99 |
| keywords | papain-like cysteine protease, drug design, covalent inhibitor, cruzipain, HYDROLASE-HYDROLASE INHIBITOR COMPLEX; HYDROLASE/HYDROLASE INHIBITOR |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 17.16 Å |
| rg_electron | 16.02 Å |
| i0 | 10342400.00 |
| molecular_weight | 23054.0 kDa |
| excluded_volume | 28424 ų |
| envelope_volume | 31223 ų |
| shell_volume | 16164 ų |
| envelope_diameter | 55.9 Å |
| shell_rg | 22.34 Å |
| envelope_rg | 16.31 Å |
| shape_rg | 16.01 Å |
| total_rg | 17.06 Å |
| total_atoms | 1619 |
| 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 | 58.5 Å |
| rg_real | 17.05 Å |
| rg_real_error | 0.42 Å |
| i0_real | 1.0340e+07 |
| i0_real_error | 1.3670e+05 |
| rg_reciprocal | 17.07 Å |
| i0_reciprocal | 10340000.0000 |
| total_estimate | 0.7813 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 3 |
| r_peak_primary | 21.6 Å |
| skewness | 0.175 |
| kurtosis | -0.380 |
| angular_range | — – 0.4650 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 2618000.0000 |
| n_real_points | 77 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.722; Stabil: 0.995; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.000 |