1c57
DIRECT DETERMINATION OF THE POSITIONS OF DEUTERIUM ATOMS OF BOUND WATER IN CONCANAVALIN A BY NEUTRON LAUE CRYSTALLOGRAPHY
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1c57 |
| deposition_date | 1999-10-26 |
| title | DIRECT DETERMINATION OF THE POSITIONS OF DEUTERIUM ATOMS OF BOUND WATER IN CONCANAVALIN A BY NEUTRON LAUE CRYSTALLOGRAPHY |
| keywords | CONCANAVALIN A, NEUTRON LAUE DIFFRACTION, BOUND D2O MOLECULES, SUGAR BINDING PROTEIN; SUGAR BINDING PROTEIN |
| method | NEUTRON DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 18.65 Å |
| rg_electron | 17.23 Å |
| i0 | 12094500.00 |
| molecular_weight | 25686.0 kDa |
| excluded_volume | 32030 ų |
| envelope_volume | 36543 ų |
| shell_volume | 17714 ų |
| envelope_diameter | 63.6 Å |
| shell_rg | 23.60 Å |
| envelope_rg | 17.69 Å |
| shape_rg | 17.22 Å |
| total_rg | 18.28 Å |
| total_atoms | 3566 |
| n_residues | 237 |
| 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 | 18.59 Å |
| rg_real_error | 0.47 Å |
| i0_real | 1.2090e+07 |
| i0_real_error | 1.5700e+05 |
| rg_reciprocal | 18.60 Å |
| i0_reciprocal | 12090000.0000 |
| total_estimate | 0.8612 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 2 |
| r_peak_primary | 23.6 Å |
| skewness | 0.289 |
| kurtosis | -0.133 |
| angular_range | — – 0.4250 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 2657000.0000 |
| n_real_points | 74 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.736; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.989 |