1cte
;CRYSTAL STRUCTURES OF RECOMBINANT RAT CATHEPSIN B AND A CATHEPSIN B-INHIBITOR COMPLEX: IMPLICATIONS FOR STRUCTURE-BASED INHIBITOR DESIGN ;
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1cte |
| deposition_date | 1995-05-03 |
| title | ;CRYSTAL STRUCTURES OF RECOMBINANT RAT CATHEPSIN B AND A CATHEPSIN B-INHIBITOR COMPLEX: IMPLICATIONS FOR STRUCTURE-BASED INHIBITOR DESIGN ; |
| keywords | THIOL PROTEASE; THIOL PROTEASE |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 24.12 Å |
| rg_electron | 23.13 Å |
| i0 | 55761100.00 |
| molecular_weight | 55124.0 kDa |
| excluded_volume | 67496 ų |
| envelope_volume | 78756 ų |
| shell_volume | 27947 ų |
| envelope_diameter | 81.0 Å |
| shell_rg | 30.55 Å |
| envelope_rg | 23.28 Å |
| shape_rg | 23.10 Å |
| total_rg | 24.01 Å |
| total_atoms | 3868 |
| n_residues | 506 |
| 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 | 80.8 Å |
| rg_real | 24.04 Å |
| rg_real_error | 0.46 Å |
| i0_real | 5.5760e+07 |
| i0_real_error | 6.8050e+05 |
| rg_reciprocal | 24.06 Å |
| i0_reciprocal | 55760000.0000 |
| total_estimate | 0.8834 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 1 |
| r_peak_primary | 29.1 Å |
| skewness | 0.276 |
| kurtosis | -0.381 |
| angular_range | — – 0.3300 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 11670000.0000 |
| n_real_points | 65 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.831; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.993 |