1a8k
;CRYSTALLOGRAPHIC ANALYSIS OF HUMAN IMMUNODEFICIENCY VIRUS 1 PROTEASE WITH AN ANALOG OF THE CONSERVED CA-P2 SUBSTRATE: INTERACTIONS WITH FREQUENTLY OCCURRING GLUTAMIC ACID RESIDUE AT P2' POSITION OF SUBSTRATES ;
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1a8k |
| deposition_date | 1998-03-27 |
| title | ;CRYSTALLOGRAPHIC ANALYSIS OF HUMAN IMMUNODEFICIENCY VIRUS 1 PROTEASE WITH AN ANALOG OF THE CONSERVED CA-P2 SUBSTRATE: INTERACTIONS WITH FREQUENTLY OCCURRING GLUTAMIC ACID RESIDUE AT P2' POSITION OF SUBSTRATES ; |
| keywords | HUMAN IMMUNODEFICIENCY VIRUS PROTEASE, PROTON-MEDIATED INTERACTION, VIRAL MATURATION, HYDROLASE-HYDROLASE INHIBITOR COMPLEX; HYDROLASE/HYDROLASE INHIBITOR |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 24.16 Å |
| rg_electron | 23.53 Å |
| i0 | 53336600.00 |
| molecular_weight | 42128.0 kDa |
| excluded_volume | 43958 ų |
| envelope_volume | 67699 ų |
| shell_volume | 24085 ų |
| envelope_diameter | 85.1 Å |
| shell_rg | 30.40 Å |
| envelope_rg | 23.47 Å |
| shape_rg | 23.62 Å |
| total_rg | 23.99 Å |
| total_atoms | 3834 |
| n_residues | 396 |
| 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 | 82.1 Å |
| rg_real | 24.12 Å |
| rg_real_error | 0.57 Å |
| i0_real | 5.3340e+07 |
| i0_real_error | 7.4370e+05 |
| rg_reciprocal | 24.13 Å |
| i0_reciprocal | 53340000.0000 |
| total_estimate | 0.8014 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 3 |
| r_peak_primary | 26.9 Å |
| skewness | 0.274 |
| kurtosis | -0.411 |
| angular_range | — – 0.3300 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 23000000.0000 |
| n_real_points | 65 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.827; Stabil: 0.994; Sysdev: 1.000; Positv: 1.000; Valcen: 0.952; Smooth: 0.000 |