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146d

SOLUTION STRUCTURE OF THE MITHRAMYCIN DIMER-DNA COMPLEX

Method: SOLUTION NMR D_max: 33.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	146d
deposition_date	1993-11-09
title	SOLUTION STRUCTURE OF THE MITHRAMYCIN DIMER-DNA COMPLEX
keywords	DNA, MITHRAMYCIN DIMER; 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	9.85 Å
rg_electron	9.64 Å
i0	3848010.00
molecular_weight	11602.0 kDa
excluded_volume	13067 Å³
envelope_volume	7334 Å³
shell_volume	6628 Å³
envelope_diameter	31.2 Å
shell_rg	14.98 Å
envelope_rg	10.33 Å
shape_rg	9.51 Å
total_rg	10.64 Å
total_atoms	1362
n_residues	24
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	33.0 Å
rg_real	9.81 Å
rg_real_error	0.27 Å
i0_real	3.8480e+06
i0_real_error	3.8370e+04
rg_reciprocal	9.81 Å
i0_reciprocal	3848000.0000
total_estimate	0.8797
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	12.1 Å
skewness	0.235
kurtosis	-0.257
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	76080.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.829; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.993; Smooth: 0.951

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	;DNA (5'-D(TPCPGPCPGPA)-3') ;
formula_weight	1809.2 kDa
src_method	syn
entity_count	2

Polymer

type	polydeoxyribonucleotide
strand_id	A,B
atom_count	1362

TCGCGA

Entity 2 branched

description	beta-D-Olivopyranose-(1-3)-beta-D-Olivopyranose
formula_weight	278.3 kDa
src_method	man
entity_count	2

Entity 3 branched

description	2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranose-(1-3)-2,6-dideoxy-beta-D-galactopyranose-(1-3)-beta-D-Olivopyranose
formula_weight	422.5 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

description	1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYROXY-7-METHYLANTHRACENE
formula_weight	388.4 kDa
src_method	syn
entity_count	2

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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	—

fit	/app/data/saxs_computation/46/146d/146d.fit
pddf	/app/data/pr_computation/46/146d/146d.pr.out
profile	/app/data/saxs_computation/46/146d/146d.dat

SOLUTION STRUCTURE OF THE MITHRAMYCIN DIMER-DNA 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 (5)

Entity 1 polymer

Polymer

Entity 2 branched

Entity 3 branched

Entity 4 non-polymer

Entity 5 non-polymer

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)