1f29
CRYSTAL STRUCTURE ANALYSIS OF CRUZAIN BOUND TO A VINYL SULFONE DERIVED INHIBITOR (I)
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1f29 |
| deposition_date | 2000-05-23 |
| title | CRYSTAL STRUCTURE ANALYSIS OF CRUZAIN BOUND TO A VINYL SULFONE DERIVED INHIBITOR (I) |
| keywords | ;cysteine protease, covalent inhibitor, vinyl sulfone derived, P1' pocket, HYDROLASE ;; HYDROLASE |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 44.31 Å |
| rg_electron | 45.59 Å |
| i0 | 79615900.00 |
| molecular_weight | 69759.0 kDa |
| excluded_volume | 86071 ų |
| envelope_volume | 123660 ų |
| shell_volume | 29066 ų |
| envelope_diameter | 149.6 Å |
| shell_rg | 38.00 Å |
| envelope_rg | 44.10 Å |
| shape_rg | 45.58 Å |
| total_rg | 45.18 Å |
| total_atoms | 4899 |
| n_residues | 645 |
| 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 | 139.5 Å |
| rg_real | 45.19 Å |
| rg_real_error | 1.63 Å |
| i0_real | 7.9620e+07 |
| i0_real_error | 1.3870e+06 |
| rg_reciprocal | 44.32 Å |
| i0_reciprocal | 79530000.0000 |
| total_estimate | 0.5545 |
| solution_quality | REASONABLE a REASONABLE solution |
| n_peaks | 3 |
| r_peak_primary | 19.4 Å |
| skewness | 0.546 |
| kurtosis | -0.652 |
| angular_range | — – 0.1800 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 2160000.0000 |
| n_real_points | 37 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.026; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.126; Smooth: 0.000 |