APYRIMIDINIC DNA WITH BOUND WATER AT THE DAMAGED SITE, ALPHA FORM, NMR, 1 STRUCTURE

Method: SOLUTION NMR D_max: 46.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1a9i
deposition_date	1998-04-06
title	APYRIMIDINIC DNA WITH BOUND WATER AT THE DAMAGED SITE, ALPHA FORM, NMR, 1 STRUCTURE
keywords	DAMAGED DNA, APYRIMIDINIC DNA, WATER, DNA; DNA
method	SOLUTION NMR

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	12.76 Å
rg_electron	12.26 Å
i0	2298850.00
molecular_weight	6585.0 kDa
excluded_volume	6346 Å³
envelope_volume	8214 Å³
shell_volume	6454 Å³
envelope_diameter	45.4 Å
shell_rg	16.28 Å
envelope_rg	12.41 Å
shape_rg	12.16 Å
total_rg	13.04 Å
total_atoms	682
n_residues	21
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

▼

3. P(r) Analysis (GNOM)

dmax	46.0 Å
rg_real	12.79 Å
rg_real_error	0.41 Å
i0_real	2.2990e+06
i0_real_error	2.5270e+04
rg_reciprocal	12.79 Å
i0_reciprocal	2299000.0000
total_estimate	0.8431
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	12.8 Å
skewness	0.345
kurtosis	-0.428
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	163700.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.781; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.682; Smooth: 0.931

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (3)

▶

6. Citations (1)

▶

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(CPGPCPGPAPAABPAPCPGPCP*C)-3') ;
formula_weight	3211.1 kDa
src_method	syn
entity_count	1

type	polydeoxyribonucleotide
strand_id	A
atom_count	685

description	;DNA (5'-D(GPGPCPGPTPAPTPCPGPCP*G)-3') ;
formula_weight	3390.2 kDa
src_method	syn
entity_count	1

APYRIMIDINIC DNA WITH BOUND WATER AT THE DAMAGED SITE, ALPHA FORM, NMR, 1 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 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	1

fit	/app/data/saxs_computation/a9/1a9i/1a9i.fit
pddf	/app/data/pr_computation/a9/1a9i/1a9i.pr.out
profile	/app/data/saxs_computation/a9/1a9i/1a9i.dat