SAXSdb — 1a36

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1. Structure Basics

entry_id	1a36
deposition_date	1998-01-29
title	TOPOISOMERASE I/DNA COMPLEX
keywords	COMPLEX (ISOMERASE-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	28.29 Å
rg_electron	28.41 Å
i0	109954000.00
molecular_weight	75027.0 kDa
excluded_volume	90624 Å³
envelope_volume	118370 Å³
shell_volume	35329 Å³
envelope_diameter	107.8 Å
shell_rg	34.82 Å
envelope_rg	29.04 Å
shape_rg	28.39 Å
total_rg	29.02 Å
total_atoms	5228
n_residues	588
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	100.5 Å
rg_real	28.33 Å
rg_real_error	0.91 Å
i0_real	1.1000e+08
i0_real_error	1.5410e+06
rg_reciprocal	28.32 Å
i0_reciprocal	110000000.0000
total_estimate	0.8528
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	32.3 Å
skewness	0.456
kurtosis	0.037
angular_range	— – 0.2800 Å⁻¹
current_alpha	0.0000
highest_alpha	13620000.0000
n_real_points	57
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.711; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.959; Smooth: 0.992

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	;DNA (5'-D(APAPAPAPAPGPAPCPTPTPAPGPAPAPAPAPA PTPTPTPTPT)- 3') ;
formula_weight	6790.5 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	B
atom_count	5285

AAAAAGACTTAGAAAAATTTTT

Entity 2 polymer

description	;DNA (5'-D(APAPAPAPAPTPTPTPTPTPCPTPAPAPGPTPC PTPTPTPTPT)- 3') ;
formula_weight	6705.4 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	C

AAAAATTTTTCTAAGTCTTTTT

Entity 3 polymer

description	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	57

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6. Citations (1)

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length_a	56.500 Å
length_b	118.400 Å
length_c	71.500 Å
angle_alpha	90.00 °
angle_beta	101.20 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.800 Å
resolution_low	8.000 Å
r_factor	0.2240
r_work	0.2240
r_free	0.3120

fit	/app/data/saxs_computation/a3/1a36/1a36.fit
pddf	/app/data/pr_computation/a3/1a36/1a36.pr.out
profile	/app/data/saxs_computation/a3/1a36/1a36.dat

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)