1btu
PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3S, 4R)-1-TOLUENESULPHONYL-3-ETHYL-AZETIDIN-2-ONE-4-CARBOXYLIC ACID
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1btu |
| deposition_date | 1998-09-01 |
| title | PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3S, 4R)-1-TOLUENESULPHONYL-3-ETHYL-AZETIDIN-2-ONE-4-CARBOXYLIC ACID |
| keywords | HYDROLASE, SERINE PROTEINASE, SERINE PROTEASE; SERINE PROTEASE |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 17.85 Å |
| rg_electron | 16.58 Å |
| i0 | 13449800.00 |
| molecular_weight | 26347.0 kDa |
| excluded_volume | 32478 ų |
| envelope_volume | 36530 ų |
| shell_volume | 17947 ų |
| envelope_diameter | 54.0 Å |
| shell_rg | 23.23 Å |
| envelope_rg | 16.87 Å |
| shape_rg | 16.57 Å |
| total_rg | 17.58 Å |
| total_atoms | 1848 |
| n_residues | 240 |
| 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 | 54.5 Å |
| rg_real | 17.70 Å |
| rg_real_error | 0.22 Å |
| i0_real | 1.3450e+07 |
| i0_real_error | 1.4550e+05 |
| rg_reciprocal | 17.72 Å |
| i0_reciprocal | 13450000.0000 |
| total_estimate | 0.9006 |
| solution_quality | EXCELLENT a EXCELLENT solution |
| n_peaks | 2 |
| r_peak_primary | 22.8 Å |
| skewness | 0.107 |
| kurtosis | -0.459 |
| angular_range | — – 0.4450 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 3856000.0000 |
| n_real_points | 75 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.912; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.976; Smooth: 0.992 |