1d4k
HIV-1 PROTEASE COMPLEXED WITH A MACROCYCLIC PEPTIDOMIMETIC INHIBITOR
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1d4k |
| deposition_date | 1999-10-04 |
| title | HIV-1 PROTEASE COMPLEXED WITH A MACROCYCLIC PEPTIDOMIMETIC INHIBITOR |
| keywords | HIV, PROTEASE, INHIBITOR, ANTIVIRAL, HYDROLASE; HYDROLASE |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 18.30 Å |
| rg_electron | 17.07 Å |
| i0 | 7691430.00 |
| molecular_weight | 21879.0 kDa |
| excluded_volume | 28071 ų |
| envelope_volume | 31316 ų |
| shell_volume | 15704 ų |
| envelope_diameter | 57.6 Å |
| shell_rg | 22.87 Å |
| envelope_rg | 17.38 Å |
| shape_rg | 17.06 Å |
| total_rg | 18.10 Å |
| total_atoms | 1541 |
| n_residues | 194 |
| 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 | 59.0 Å |
| rg_real | 18.27 Å |
| rg_real_error | 0.36 Å |
| i0_real | 7.6910e+06 |
| i0_real_error | 1.0430e+05 |
| rg_reciprocal | 18.27 Å |
| i0_reciprocal | 7691000.0000 |
| total_estimate | 0.8883 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 1 |
| r_peak_primary | 58.2 Å |
| skewness | 0.321 |
| kurtosis | -0.331 |
| angular_range | — – 0.4350 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 2942000.0000 |
| n_real_points | 75 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.850; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.994 |