1eol
;Design of P1' and P3' residues of trivalent thrombin inhibitors and their crystal structures ;
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1eol |
| deposition_date | 2000-03-23 |
| title | ;Design of P1' and P3' residues of trivalent thrombin inhibitors and their crystal structures ; |
| keywords | thrombin inhibitors, serine protease, HYDROLASE-HYDROLASE INHIBITOR complex; HYDROLASE/HYDROLASE INHIBITOR |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 19.09 Å |
| rg_electron | 17.89 Å |
| i0 | 19443100.00 |
| molecular_weight | 33885.0 kDa |
| excluded_volume | 42559 ų |
| envelope_volume | 47495 ų |
| shell_volume | 21252 ų |
| envelope_diameter | 59.5 Å |
| shell_rg | 25.08 Å |
| envelope_rg | 18.24 Å |
| shape_rg | 17.88 Å |
| total_rg | 18.88 Å |
| total_atoms | 2383 |
| n_residues | 289 |
| 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 | 59.2 Å |
| rg_real | 18.93 Å |
| rg_real_error | 0.22 Å |
| i0_real | 1.9440e+07 |
| i0_real_error | 2.2970e+05 |
| rg_reciprocal | 18.95 Å |
| i0_reciprocal | 19440000.0000 |
| total_estimate | 0.8943 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 2 |
| r_peak_primary | 24.7 Å |
| skewness | 0.085 |
| kurtosis | -0.456 |
| angular_range | — – 0.4150 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 7868000.0000 |
| n_real_points | 73 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.881; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.981; Smooth: 0.998 |