1ena
;CRYSTAL STRUCTURES OF THE BINARY CA2+ AND PDTP COMPLEXES AND THE TERNARY COMPLEX OF THE ASP 21->GLU MUTANT OF STAPHYLOCOCCAL NUCLEASE. IMPLICATIONS FOR CATALYSIS AND LIGAND BINDING ;
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1ena |
| deposition_date | 1994-02-14 |
| title | ;CRYSTAL STRUCTURES OF THE BINARY CA2+ AND PDTP COMPLEXES AND THE TERNARY COMPLEX OF THE ASP 21->GLU MUTANT OF STAPHYLOCOCCAL NUCLEASE. IMPLICATIONS FOR CATALYSIS AND LIGAND BINDING ; |
| keywords | HYDROLASE(PHOSPHORIC DIESTER); HYDROLASE(PHOSPHORIC DIESTER) |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 15.53 Å |
| rg_electron | 14.46 Å |
| i0 | 4461010.00 |
| molecular_weight | 15441.0 kDa |
| excluded_volume | 19575 ų |
| envelope_volume | 22050 ų |
| shell_volume | 12956 ų |
| envelope_diameter | 49.9 Å |
| shell_rg | 20.17 Å |
| envelope_rg | 14.76 Å |
| shape_rg | 14.43 Å |
| total_rg | 15.73 Å |
| total_atoms | 1085 |
| n_residues | 135 |
| 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 | 50.1 Å |
| rg_real | 15.43 Å |
| rg_real_error | 0.24 Å |
| i0_real | 4.4610e+06 |
| i0_real_error | 4.6270e+04 |
| rg_reciprocal | 15.44 Å |
| i0_reciprocal | 4461000.0000 |
| total_estimate | 0.8882 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 2 |
| r_peak_primary | 19.7 Å |
| skewness | 0.119 |
| kurtosis | -0.393 |
| angular_range | — – 0.5000 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 828200.0000 |
| n_real_points | 80 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.856; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.975 |