1ec2
HIV-1 protease in complex with the inhibitor BEA428
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1ec2 |
| deposition_date | 2000-01-25 |
| title | HIV-1 protease in complex with the inhibitor BEA428 |
| keywords | Dimer, protein-inhibitor complex, HYDROLASE-HYDROLASE INHIBITOR COMPLEX; HYDROLASE/HYDROLASE INHIBITOR |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 18.14 Å |
| rg_electron | 17.17 Å |
| i0 | 8047550.00 |
| molecular_weight | 22359.0 kDa |
| excluded_volume | 28720 ų |
| envelope_volume | 31906 ų |
| shell_volume | 15913 ų |
| envelope_diameter | 60.6 Å |
| shell_rg | 22.99 Å |
| envelope_rg | 17.48 Å |
| shape_rg | 17.16 Å |
| total_rg | 18.20 Å |
| total_atoms | 1572 |
| n_residues | 198 |
| 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 | 58.8 Å |
| rg_real | 18.11 Å |
| rg_real_error | 0.41 Å |
| i0_real | 8.0480e+06 |
| i0_real_error | 9.3010e+04 |
| rg_reciprocal | 18.12 Å |
| i0_reciprocal | 8048000.0000 |
| total_estimate | 0.8053 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 2 |
| r_peak_primary | 21.4 Å |
| skewness | 0.348 |
| kurtosis | -0.242 |
| angular_range | — – 0.4400 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 3254000.0000 |
| n_real_points | 75 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.822; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.000 |