1atd
;HIGH-RESOLUTION STRUCTURE OF ASCARIS TRYPSIN INHIBITOR IN SOLUTION: DIRECT EVIDENCE FOR A PH INDUCED CONFORMATIONAL TRANSITION IN THE REACTIVE SITE ;
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1atd |
| deposition_date | 1994-05-20 |
| title | ;HIGH-RESOLUTION STRUCTURE OF ASCARIS TRYPSIN INHIBITOR IN SOLUTION: DIRECT EVIDENCE FOR A PH INDUCED CONFORMATIONAL TRANSITION IN THE REACTIVE SITE ; |
| keywords | PROTEINASE INHIBITOR(TRYPSIN); PROTEINASE INHIBITOR(TRYPSIN) |
| method | SOLUTION NMR |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 11.56 Å |
| rg_electron | 11.95 Å |
| i0 | 809265000.00 |
| molecular_weight | 217560.0 kDa |
| excluded_volume | 262860 ų |
| envelope_volume | 18486 ų |
| shell_volume | 11312 ų |
| envelope_diameter | 51.0 Å |
| shell_rg | 19.47 Å |
| envelope_rg | 14.79 Å |
| shape_rg | 11.94 Å |
| total_rg | 12.10 Å |
| total_atoms | 29184 |
| n_residues | 1984 |
| 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 | 44.8 Å |
| rg_real | 11.56 Å |
| rg_real_error | 0.38 Å |
| i0_real | 8.0930e+08 |
| i0_real_error | 9.3140e+06 |
| rg_reciprocal | 11.56 Å |
| i0_reciprocal | 809300000.0000 |
| total_estimate | 0.8138 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 2 |
| r_peak_primary | 13.6 Å |
| skewness | 0.301 |
| kurtosis | -0.252 |
| angular_range | — – 0.5000 Å−1 |
| current_alpha | 0.0001 |
| highest_alpha | 76390.0000 |
| n_real_points | 80 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.609; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.749; Smooth: 1.000 |