1eoj
;Design of P1' and P3' residues of trivalent thrombin inhibitors and their crystal structures ;
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1eoj |
| 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 | 19.06 Å |
| rg_electron | 17.85 Å |
| i0 | 19459800.00 |
| molecular_weight | 33854.0 kDa |
| excluded_volume | 42489 ų |
| envelope_volume | 47293 ų |
| shell_volume | 21191 ų |
| envelope_diameter | 59.3 Å |
| shell_rg | 25.07 Å |
| envelope_rg | 18.23 Å |
| shape_rg | 17.85 Å |
| total_rg | 18.84 Å |
| total_atoms | 2380 |
| n_residues | 288 |
| 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 | 59.1 Å |
| rg_real | 18.90 Å |
| rg_real_error | 0.25 Å |
| i0_real | 1.9460e+07 |
| i0_real_error | 2.2320e+05 |
| rg_reciprocal | 18.92 Å |
| i0_reciprocal | 19460000.0000 |
| total_estimate | 0.8943 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 2 |
| r_peak_primary | 24.6 Å |
| skewness | 0.090 |
| kurtosis | -0.449 |
| angular_range | — – 0.4150 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 8020000.0000 |
| 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 |