1ccq
;NMR STRUCTURE WITH TIGHTLY BOUND WATER MOLECULES OF CYTOTOXIN II (CARDIOTOXIN) FROM NAJA NAJA OXIANA IN AQUEOUS SOLUTION (MINOR FORM). ;
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1ccq |
| deposition_date | 1999-03-02 |
| title | ;NMR STRUCTURE WITH TIGHTLY BOUND WATER MOLECULES OF CYTOTOXIN II (CARDIOTOXIN) FROM NAJA NAJA OXIANA IN AQUEOUS SOLUTION (MINOR FORM). ; |
| keywords | CYTOTOXIN (CARDIOTOXIN), MEMBRANE PERTURBATION, CIS/TRANS ISOMERIZATION, BOUND WATER, TOXIN; TOXIN |
| method | SOLUTION NMR |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 10.44 Å |
| rg_electron | 11.45 Å |
| i0 | 223539000.00 |
| molecular_weight | 132570.0 kDa |
| excluded_volume | 169100 ų |
| envelope_volume | 13263 ų |
| shell_volume | 9357 ų |
| envelope_diameter | 40.4 Å |
| shell_rg | 17.77 Å |
| envelope_rg | 12.71 Å |
| shape_rg | 11.46 Å |
| total_rg | 11.55 Å |
| total_atoms | 18860 |
| n_residues | 1200 |
| 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 | 46.2 Å |
| rg_real | 10.41 Å |
| rg_real_error | 0.49 Å |
| i0_real | 2.2350e+08 |
| i0_real_error | 2.4230e+06 |
| rg_reciprocal | 10.41 Å |
| i0_reciprocal | 223500000.0000 |
| total_estimate | 0.6511 |
| solution_quality | REASONABLE a REASONABLE solution |
| n_peaks | 3 |
| r_peak_primary | 12.3 Å |
| skewness | 0.137 |
| kurtosis | -0.772 |
| angular_range | — – 0.5000 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 42800.0000 |
| n_real_points | 80 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.386; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.304; Smooth: 0.000 |