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1au5

SOLUTION STRUCTURE OF INTRASTRAND CISPLATIN-CROSSLINKED DNA OCTAMER D(CCTGGTCC):D(GGACCAGG), NMR, MINIMIZED AVERAGE STRUCTURE

Method: SOLUTION NMR D_max: 34.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1au5
deposition_date	1997-09-11
title	SOLUTION STRUCTURE OF INTRASTRAND CISPLATIN-CROSSLINKED DNA OCTAMER D(CCTGGTCC):D(GGACCAGG), NMR, MINIMIZED AVERAGE STRUCTURE
keywords	INTRASTRAND, CISPLATIN, DNA, DEOXYRIBONUCLEIC ACID; 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	10.47 Å
rg_electron	9.76 Å
i0	1475660.00
molecular_weight	5062.0 kDa
excluded_volume	4757 Å³
envelope_volume	5949 Å³
shell_volume	5658 Å³
envelope_diameter	31.1 Å
shell_rg	14.24 Å
envelope_rg	9.96 Å
shape_rg	9.73 Å
total_rg	10.65 Å
total_atoms	513
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	34.0 Å
rg_real	10.42 Å
rg_real_error	0.26 Å
i0_real	1.4760e+06
i0_real_error	1.4910e+04
rg_reciprocal	10.43 Å
i0_reciprocal	1476000.0000
total_estimate	0.8978
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	13.3 Å
skewness	0.159
kurtosis	-0.357
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	46820.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.891; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.998

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

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6. Citations (3)

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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(CPCPTPGPGPTPCPC)-3') ;
formula_weight	2378.6 kDa
src_method	syn
entity_count	1

type	polydeoxyribonucleotide
strand_id	A
atom_count	513

description	;DNA (5'-D(GPGPAPCPCPAPGPG)-3') ;
formula_weight	2476.6 kDa
src_method	syn
entity_count	1

SOLUTION STRUCTURE OF INTRASTRAND CISPLATIN-CROSSLINKED DNA OCTAMER D(CCTGGTCC):D(GGACCAGG), NMR, MINIMIZED AVERAGE STRUCTURE

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 (3)

7. Files & Curves (10)

Files (7)

Curves (3)

description	Cisplatin
formula_weight	300.0 kDa
src_method	syn
entity_count	1

fit	/app/data/saxs_computation/au/1au5/1au5.fit
pddf	/app/data/pr_computation/au/1au5/1au5.pr.out
profile	/app/data/saxs_computation/au/1au5/1au5.dat

SOLUTION STRUCTURE OF INTRASTRAND CISPLATIN-CROSSLINKED DNA OCTAMER D(CCTG*G*TCC):D(GGACCAGG), NMR, MINIMIZED AVERAGE STRUCTURE

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 (3)

7. Files & Curves (10)

Files (7)

Curves (3)

SOLUTION STRUCTURE OF INTRASTRAND CISPLATIN-CROSSLINKED DNA OCTAMER D(CCTGGTCC):D(GGACCAGG), NMR, MINIMIZED AVERAGE STRUCTURE