1f2a
CRYSTAL STRUCTURE ANALYSIS OF CRUZAIN BOUND TO A VINYL SULFONE DERIVED INHIBITOR (II)
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1f2a |
| deposition_date | 2000-05-23 |
| title | CRYSTAL STRUCTURE ANALYSIS OF CRUZAIN BOUND TO A VINYL SULFONE DERIVED INHIBITOR (II) |
| keywords | ;cysteine protease, covalent inhibitor, vinyl sulfone derived, P1' pocket, HYDROLASE ;; HYDROLASE |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 17.09 Å |
| rg_electron | 15.96 Å |
| i0 | 10358000.00 |
| molecular_weight | 23288.0 kDa |
| excluded_volume | 28760 ų |
| envelope_volume | 31227 ų |
| shell_volume | 16198 ų |
| envelope_diameter | 55.7 Å |
| shell_rg | 22.24 Å |
| envelope_rg | 16.25 Å |
| shape_rg | 15.95 Å |
| total_rg | 16.97 Å |
| total_atoms | 1636 |
| n_residues | 215 |
| 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 | 63.9 Å |
| rg_real | 16.98 Å |
| rg_real_error | 0.44 Å |
| i0_real | 1.0360e+07 |
| i0_real_error | 1.2260e+05 |
| rg_reciprocal | 16.99 Å |
| i0_reciprocal | 10360000.0000 |
| total_estimate | 0.5973 |
| solution_quality | REASONABLE a REASONABLE solution |
| n_peaks | 3 |
| r_peak_primary | 21.9 Å |
| skewness | 0.169 |
| kurtosis | -0.374 |
| angular_range | — – 0.4650 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 2854000.0000 |
| n_real_points | 77 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.556; Stabil: 1.000; Sysdev: 0.379; Positv: 1.000; Valcen: 0.958; Smooth: 0.000 |