1ai3
ORBITAL STEERING IN THE CATALYTIC POWER OF ENZYMES: SMALL STRUCTURAL CHANGES WITH LARGE CATALYTIC CONSEQUENCES
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1ai3 |
| deposition_date | 1997-04-30 |
| title | ORBITAL STEERING IN THE CATALYTIC POWER OF ENZYMES: SMALL STRUCTURAL CHANGES WITH LARGE CATALYTIC CONSEQUENCES |
| keywords | OXIDOREDUCTASE (NAD(A)-CHOH(D)), NADP, PHOSPHORYLATION, GLYOXYLATE BYPASS, OXIDOREDUCTASE; OXIDOREDUCTASE |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 23.24 Å |
| rg_electron | 22.31 Å |
| i0 | 36117800.00 |
| molecular_weight | 46446.0 kDa |
| excluded_volume | 58231 ų |
| envelope_volume | 69865 ų |
| shell_volume | 25773 ų |
| envelope_diameter | 78.3 Å |
| shell_rg | 29.66 Å |
| envelope_rg | 22.87 Å |
| shape_rg | 22.32 Å |
| total_rg | 23.19 Å |
| total_atoms | 3258 |
| n_residues | 414 |
| 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 | 75.0 Å |
| rg_real | 23.16 Å |
| rg_real_error | 0.48 Å |
| i0_real | 3.6120e+07 |
| i0_real_error | 4.4210e+05 |
| rg_reciprocal | 23.18 Å |
| i0_reciprocal | 36120000.0000 |
| total_estimate | 0.8157 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 2 |
| r_peak_primary | 28.8 Å |
| skewness | 0.261 |
| kurtosis | -0.311 |
| angular_range | — – 0.3400 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 5477000.0000 |
| n_real_points | 66 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.868; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.000 |