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1cy1

;COMPLEX OF E.COLI DNA TOPOISOMERASE I WITH 5'PTPTPT ;

Method: X-RAY DIFFRACTION D_max: 99.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cy1
deposition_date	1999-08-31
title	;COMPLEX OF E.COLI DNA TOPOISOMERASE I WITH 5'PTPTPT ;
keywords	DNA TOPOISOMERASE, RELAXING ENZYME, ISOMERASE; ISOMERASE
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	29.79 Å
rg_electron	29.53 Å
i0	69626100.00
molecular_weight	64117.0 kDa
excluded_volume	79732 Å³
envelope_volume	104150 Å³
shell_volume	30795 Å³
envelope_diameter	103.8 Å
shell_rg	34.95 Å
envelope_rg	29.62 Å
shape_rg	29.55 Å
total_rg	29.99 Å
total_atoms	4506
n_residues	557
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	99.8 Å
rg_real	29.89 Å
rg_real_error	0.74 Å
i0_real	6.9630e+07
i0_real_error	1.0400e+06
rg_reciprocal	29.85 Å
i0_reciprocal	69620000.0000
total_estimate	0.8804
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	32.0 Å
skewness	0.414
kurtosis	-0.352
angular_range	— – 0.2650 Å⁻¹
current_alpha	0.0000
highest_alpha	11470000.0000
n_real_points	54
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.879; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.929; Smooth: 0.874

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	DNA TOPOISOMERASE I
formula_weight	67542.5 kDa
ec_number	5.99.1.2
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4642

GSMGKALVIVESPAKAKTINKYLGSDYVVKSSVGHIRDLPTSGSAAKKSADSTSTKTAKKPKKDERGALVNRMGVDPWHNWEAHYEVLPGKEKVVSELKQLAEKADHIYLATDLDREGEAIAWHLREVIGGDDARYSRVVFNEITKNAIRQAFNKPGELNIDRVNAQQARRFMDRVVGYMVSPLLWKKIARGLSAGRVQSVAVRLVVEREREIKAFVPEEFWEVDASTTTPSGEALALQVTHQNDKPFRPVNKEQTQAAVSLLEKARYSVLEREDKPTTSKPGAPFITSTLQQAASTRLGFGVKKTMMMAQRLYEAGYITYMRTDSTNLSQDAVNMVRGYISDNFGKKYLPESPNQYASKENSQEAHEAIRPSDVNVMAESLKDMEADAQKLYQLIWRQFVACQMTPAKYDSTTLTVGAGDFRLKARGRILRFDGWTKVMPALRKGDEDRILPAVNKGDALTLVELTPAQHFTKPPARFSEASLVKELEKRGIGRPSTYASIISTIQDRGYVRVENRRFYAEKMGEIVTDRLEENFRELMNYDFTAQMENSLDQVANHEAEWKAVLDHFFSDFTQQLDKAEKDPEEGGMRPNQMVLTSI

Source

organism	Escherichia coli
ncbi_taxonomy_id	83333
host_organism	Escherichia coli

Entity 2 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	THYMIDINE-5'-PHOSPHATE
formula_weight	322.2 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	THYMIDINE-3',5'-DIPHOSPHATE
formula_weight	402.2 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	136

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6. Citations (1)

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length_a	62.860 Å
length_b	77.800 Å
length_c	138.660 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.300 Å
resolution_low	19.980 Å
r_factor	0.2420
r_work	0.2420
r_free	0.3070

fit	/app/data/saxs_computation/cy/1cy1/1cy1.fit
pddf	/app/data/pr_computation/cy/1cy1/1cy1.pr.out
profile	/app/data/saxs_computation/cy/1cy1/1cy1.dat