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1bp8

4:2:1 mithramycin:Mg++:d(ACCCGGGT)2 complex

Method: SOLUTION NMR D_max: 40.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bp8
deposition_date	1998-08-13
title	4:2:1 mithramycin:Mg++:d(ACCCGGGT)2 complex
keywords	MITHRAMYCIN, DNA, OLIGONUCLEOTIDE; 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	12.14 Å
rg_electron	12.03 Å
i0	2433390.00
molecular_weight	9251.0 kDa
excluded_volume	10736 Å³
envelope_volume	11289 Å³
shell_volume	8336 Å³
envelope_diameter	38.0 Å
shell_rg	17.11 Å
envelope_rg	12.21 Å
shape_rg	11.93 Å
total_rg	13.22 Å
total_atoms	1109
n_residues	16
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	40.3 Å
rg_real	12.10 Å
rg_real_error	0.25 Å
i0_real	2.4330e+06
i0_real_error	2.3540e+04
rg_reciprocal	12.10 Å
i0_reciprocal	2433000.0000
total_estimate	0.8843
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	14.3 Å
skewness	0.294
kurtosis	-0.264
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	375000.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.840; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.991; Smooth: 0.981

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	5'-D(APCPCPCPGPGPGPT)-3'
formula_weight	2427.6 kDa
src_method	syn
entity_count	2

Polymer

type	polydeoxyribonucleotide
strand_id	A,B
atom_count	1109

ACCCGGGT

Entity 2 branched

description	beta-D-Olivopyranose-(1-3)-beta-D-Olivopyranose
formula_weight	278.3 kDa
src_method	man
entity_count	4

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	4

Entity 4 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	2

Entity 5 non-polymer

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

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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/bp/1bp8/1bp8.fit
pddf	/app/data/pr_computation/bp/1bp8/1bp8.pr.out
profile	/app/data/saxs_computation/bp/1bp8/1bp8.dat

4:2:1 mithramycin:Mg++:d(ACCCGGGT)2 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)