SOLUTION STRUCTURE OF THE COVALENT DUOCARMYCIN A-DNA DUPLEX COMPLEX

Method: SOLUTION NMR D_max: 30.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	107d
deposition_date	1995-01-17
title	SOLUTION STRUCTURE OF THE COVALENT DUOCARMYCIN A-DNA DUPLEX COMPLEX
keywords	DNA, DOUBLE HELIX; DNA
method	SOLUTION NMR

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Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

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2. SAXS Parameters (CRYSOL)

rg_guinier	9.37 Å
rg_electron	9.01 Å
i0	13246100.00
molecular_weight	18882.0 kDa
excluded_volume	19126 Å³
envelope_volume	6591 Å³
shell_volume	6234 Å³
envelope_diameter	32.2 Å
shell_rg	14.52 Å
envelope_rg	9.97 Å
shape_rg	8.85 Å
total_rg	9.67 Å
total_atoms	2024
n_residues	56
n_harmonics	20
q_range	— – 0.5000 Å⁻¹
n_points	101
shell_type	directional
solvent_density	0.3340 e/Å³
contrast_shell	0.0300 e/Å³
crysol_version	4.1.3

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3. P(r) Analysis (GNOM)

dmax	30.9 Å
rg_real	9.33 Å
rg_real_error	0.27 Å
i0_real	1.3250e+07
i0_real_error	1.4280e+05
rg_reciprocal	9.33 Å
i0_reciprocal	13250000.0000
total_estimate	0.8062
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	11.0 Å
skewness	0.189
kurtosis	-0.302
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	43560.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.826; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

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6. Citations (1)

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length_a	1.000 Å
length_b	1.000 Å
length_c	1.000 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	1

space_group	P 1
int_tables_number	1
crystal_system	—

description	;DNA (5'-D(CPCPTPTPTPTP*C)-3') ;
formula_weight	2039.4 kDa
src_method	syn
entity_count	1

type	polydeoxyribonucleotide
strand_id	A
atom_count	2024

description	;DNA (5'-D(GPAPAPAPAPGP*G)-3') ;
formula_weight	2195.5 kDa
src_method	syn
entity_count	1

SOLUTION STRUCTURE OF THE COVALENT DUOCARMYCIN A-DNA DUPLEX COMPLEX

SAXS Profile

P(r) Distribution

1. Structure Basics

Download Data

2. SAXS Parameters (CRYSOL)

3. P(r) Analysis (GNOM)

4. Crystallography & Experiment

Unit Cell

Symmetry

5. Entities & Polymer Info (3)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Entity 3 non-polymer

6. Citations (1)

7. Files & Curves (15)

Files (12)

Curves (3)

description	;4-HYDROXY-2,8-DIMETHYL-1-OXO-6-(4,5,6-TRIMETHOXY-1H-INDOLE-2-CARBONYL)-1,2,3,6,7,8-HEXAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER ;
formula_weight	509.5 kDa
src_method	syn
entity_count	1

fit	/app/data/saxs_computation/07/107d/107d.fit
pddf	/app/data/pr_computation/07/107d/107d.pr.out
profile	/app/data/saxs_computation/07/107d/107d.dat