1d42
;SOLUTION STRUCTURE OF [D(GTATATAC)]2 VIA RESTRAINED MOLECULAR DYNAMICS SIMULATIONS WITH NUCLEAR MAGNETIC RESONANCE CONSTRAINTS DERIVED FROM RELAXATION MATRIX ANALYSIS OF TWO-DIMENSIONAL NUCLEAR OVERHAUSER EFFECT EXPERIMENTS ;
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1d42 |
| deposition_date | 1991-05-15 |
| title | ;SOLUTION STRUCTURE OF [D(GTATATAC)]2 VIA RESTRAINED MOLECULAR DYNAMICS SIMULATIONS WITH NUCLEAR MAGNETIC RESONANCE CONSTRAINTS DERIVED FROM RELAXATION MATRIX ANALYSIS OF TWO-DIMENSIONAL NUCLEAR OVERHAUSER EFFECT EXPERIMENTS ; |
| keywords | DNA; DNA |
| method | SOLUTION NMR |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 10.67 Å |
| rg_electron | 10.15 Å |
| i0 | 23848100.00 |
| molecular_weight | 24147.0 kDa |
| excluded_volume | 23791 ų |
| envelope_volume | 11620 ų |
| shell_volume | 8883 ų |
| envelope_diameter | 34.4 Å |
| shell_rg | 16.84 Å |
| envelope_rg | 11.58 Å |
| shape_rg | 9.94 Å |
| total_rg | 10.94 Å |
| total_atoms | 1610 |
| n_residues | 80 |
| 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 | 35.8 Å |
| rg_real | 10.63 Å |
| rg_real_error | 0.24 Å |
| i0_real | 2.3850e+07 |
| i0_real_error | 2.0970e+05 |
| rg_reciprocal | 10.63 Å |
| i0_reciprocal | 23850000.0000 |
| total_estimate | 0.7072 |
| solution_quality | REASONABLE a REASONABLE solution |
| n_peaks | 2 |
| r_peak_primary | 12.7 Å |
| skewness | 0.252 |
| kurtosis | -0.347 |
| angular_range | — – 0.5000 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 177300.0000 |
| n_real_points | 80 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.839; Stabil: 1.000; Sysdev: 0.256; Positv: 1.000; Valcen: 0.986; Smooth: 0.918 |