SAXSdb — 1a35

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1. Structure Basics

entry_id	1a35
deposition_date	1998-01-29
title	HUMAN TOPOISOMERASE I/DNA COMPLEX
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	26.04 Å
rg_electron	25.85 Å
i0	93842500.00
molecular_weight	67633.0 kDa
excluded_volume	80876 Å³
envelope_volume	101900 Å³
shell_volume	32693 Å³
envelope_diameter	86.7 Å
shell_rg	33.31 Å
envelope_rg	25.80 Å
shape_rg	25.88 Å
total_rg	26.45 Å
total_atoms	4674
n_residues	510
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	82.3 Å
rg_real	25.93 Å
rg_real_error	0.43 Å
i0_real	9.3840e+07
i0_real_error	1.2390e+06
rg_reciprocal	25.96 Å
i0_reciprocal	93840000.0000
total_estimate	0.9028
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	32.4 Å
skewness	0.209
kurtosis	-0.434
angular_range	— – 0.3050 Å⁻¹
current_alpha	0.0001
highest_alpha	10030000.0000
n_real_points	62
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.913; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.996

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	;DNA (5'-D(APAPAPAPAPGPAPCPTPTPAPGPAPAPAPAPAP(BRU)P(BRU)PTPTPT)-3') ;
formula_weight	6920.2 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	C
atom_count	4947

AAAAAGACTTAGAAAAAUUTTT

Entity 2 polymer

description	;DNA (5'-D(APAPAPAPAPTP+UP+UP+UP+UPCP+UPAPAPGPTPCPTPTPTP+ UPT)-3') ;
formula_weight	7094.6 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	D

AAAAATUUUUCUAAGTCTTTUT

Entity 3 polymer

description	PROTEIN (DNA TOPOISOMERASE I)
formula_weight	70022.9 kDa
ec_number	5.99.1.2
mutation	Y723F
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A

KPKNKDKDKKVPEPDNKKKKPKKEEEQKWKWWEEERYPEGIKWKFLEHKGPVFAPPYEPLPENVKFYYDGKVMKLSPKAEEVATFFAKMLDHEYTTKEIFRKNFFKDWRKEMTNEEKNIITNLSKCDFTQMSQYFKAQTEARKQMSKEEKLKIKEENEKLLKEYGFCIMDNHKERIANFKIEPPGLFRGRGNHPKMGMLKRRIMPEDIIINCSKDAKVPSPPPGHKWKEVRHDNKVTWLVSWTENIQGSIKYIMLNPSSRIKGEKDWQKYETARRLKKCVDKIRNQYREDWKSKEMKVRQRAVALYFIDKLALRAGNEKEEGETADTVGCCSLRVEHINLHPELDGQEYVVEFDFLGKDSIRYYNKVPVEKRVFKNLQLFMENKQPEDDLFDRLNTGILNKHLQDLMEGLTAKVFRTYNASITLQQQLKELTAPDENIPAKILSYNRANRAVAILCNHQRAPPKTFEKSMMNLQTKIDAKKEQLADARRDLKSAKADAKVMKDAKTKKVVESKKKAVQRLEEQLMKLEVQATDREENKQIALGTSKLNFLDPRITVAWCKKWGVPIEKIYNKTQREKFAWAIDMADEDYEF

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	273

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6. Citations (1)

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length_a	71.800 Å
length_b	66.300 Å
length_c	71.800 Å
angle_alpha	90.00 °
angle_beta	98.40 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.500 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.2090
r_free	0.3080

fit	/app/data/saxs_computation/a3/1a35/1a35.fit
pddf	/app/data/pr_computation/a3/1a35/1a35.pr.out
profile	/app/data/saxs_computation/a3/1a35/1a35.dat

HUMAN TOPOISOMERASE I/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

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)