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1a31

HUMAN RECONSTITUTED DNA TOPOISOMERASE I IN COVALENT COMPLEX WITH A 22 BASE PAIR DNA DUPLEX

Method: X-RAY DIFFRACTION D_max: 82.0 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a31
deposition_date	1998-01-27
title	HUMAN RECONSTITUTED DNA TOPOISOMERASE I IN COVALENT COMPLEX WITH A 22 BASE PAIR DNA DUPLEX
keywords	TOPOISOMERASE I/DNA, DNA, TOPOISOMERASE I, ISOMERASE-DNA COMPLEX; ISOMERASE/DNA
method	X-RAY DIFFRACTION

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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	26.32 Å
rg_electron	26.15 Å
i0	95659100.00
molecular_weight	66899.0 kDa
excluded_volume	79032 Å³
envelope_volume	101100 Å³
shell_volume	32188 Å³
envelope_diameter	86.8 Å
shell_rg	33.60 Å
envelope_rg	25.99 Å
shape_rg	26.21 Å
total_rg	26.68 Å
total_atoms	4582
n_residues	491
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	82.0 Å
rg_real	26.20 Å
rg_real_error	0.43 Å
i0_real	9.5660e+07
i0_real_error	1.1940e+06
rg_reciprocal	26.24 Å
i0_reciprocal	95660000.0000
total_estimate	0.9084
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	32.8 Å
skewness	0.190
kurtosis	-0.466
angular_range	— – 0.3000 Å⁻¹
current_alpha	0.0000
highest_alpha	7260000.0000
n_real_points	61
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.939; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.990

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	;DNA (5'-D(APAPAPAPAPGPAPCP5IUP5IUTPGPAPAPAPAPAP5IUP5IUP5IUP5IUPT)-3') ;
formula_weight	7452.7 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	C
atom_count	4991

AAAAAGACUUTGAAAAAUUUUT

Entity 2 polymer

description	;DNA (5'-D(APAPAPAPAPTP5IUP5IUP5IUP5IUPCPAPAPAPGPTPCPTPTPTPTPT)-3') ;
formula_weight	7161.9 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	D

AAAAATUUUUCAAAGTCTTTTT

Entity 3 polymer

description	PROTEIN (TOPOISOMERASE I)
formula_weight	70118.8 kDa
ec_number	5.99.1.2
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A

KPKNKDKDKKVPEPDNKKKKPKKEEEQKWKWWEEERYPEGIKWKFLEHKGPVFAPPYEPLPENVKFYYDGKVMKLSPKAEEVATFFAKMLDHEYTTKEIFRKNFFKDWRKEMTNEEKNIITNLSKCDFTQMSQYFKAQTEARKQMSKEEKLKIKEENEKLLKEYGFCIMDNHKERIANFKIEPPGLFRGRGNHPKMGMLKRRIMPEDIIINCSKDAKVPSPPPGHKWKEVRHDNKVTWLVSWTENIQGSIKYIMLNPSSRIKGEKDWQKYETARRLKKCVDKIRNQYREDWKSKEMKVRQRAVALYFIDKLALRAGNEKEEGETADTVGCCSLRVEHINLHPELDGQEYVVEFDFLGKDSIRYYNKVPVEKRVFKNLQLFMENKQPEDDLFDRLNTGILNKHLQDLMEGLTAKVFRTYNASITLQQQLKELTAPDENIPAKILSYNRANRAVAILCNHQRAPPKTFEKSMMNLQTKIDAKKEQLADARRDLKSAKADAKVMKDAKTKKVVESKKKAVQRLEEQLMKLEVQATDREENKQIALGTSKLNYLDPRITVAWCKKWGVPIEKIYNKTQREKFAWAIDMADEDYEF

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Spodoptera frugiperda

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	409

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6. Citations (1)

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length_a	72.000 Å
length_b	66.600 Å
length_c	71.800 Å
angle_alpha	90.00 °
angle_beta	98.30 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.100 Å
resolution_low	20.000 Å
r_factor	0.2470
r_work	0.2470
r_free	0.3100

fit	/app/data/saxs_computation/a3/1a31/1a31.fit
pddf	/app/data/pr_computation/a3/1a31/1a31.pr.out
profile	/app/data/saxs_computation/a3/1a31/1a31.dat

HUMAN RECONSTITUTED DNA TOPOISOMERASE I IN COVALENT COMPLEX WITH A 22 BASE PAIR DNA DUPLEX

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

Refinement

Diffraction

5. Entities & Polymer Info (4)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Entity 3 polymer

Polymer

Source

Entity 4 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)