1ata
;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 | 1ata |
| 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 | 12.94 Å |
| rg_electron | 12.00 Å |
| i0 | 1308760.00 |
| molecular_weight | 6799.0 kDa |
| excluded_volume | 8214 ų |
| envelope_volume | 10364 ų |
| shell_volume | 7834 ų |
| envelope_diameter | 44.0 Å |
| shell_rg | 16.83 Å |
| envelope_rg | 12.53 Å |
| shape_rg | 11.99 Å |
| total_rg | 13.30 Å |
| total_atoms | 912 |
| n_residues | 62 |
| 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 | 44.0 Å |
| rg_real | 12.93 Å |
| rg_real_error | 0.30 Å |
| i0_real | 1.3090e+06 |
| i0_real_error | 1.3250e+04 |
| rg_reciprocal | 12.93 Å |
| i0_reciprocal | 1309000.0000 |
| total_estimate | 0.7981 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 2 |
| r_peak_primary | 15.1 Å |
| skewness | 0.346 |
| kurtosis | -0.173 |
| angular_range | — – 0.5000 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 243800.0000 |
| n_real_points | 80 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.802; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.966; Smooth: 0.000 |