TYPE 1-TOPOISOMERASE CATALYTIC FRAGMENT FROM VACCINIA VIRUS

Method: X-RAY DIFFRACTION D_max: 69.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a41
deposition_date	1998-02-10
title	TYPE 1-TOPOISOMERASE CATALYTIC FRAGMENT FROM VACCINIA VIRUS
keywords	TYPE 1B TOPOISOMERASE, 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	19.89 Å
rg_electron	18.90 Å
i0	9832450.00
molecular_weight	24183.0 kDa
excluded_volume	30662 Å³
envelope_volume	36159 Å³
shell_volume	16621 Å³
envelope_diameter	65.4 Å
shell_rg	24.26 Å
envelope_rg	18.81 Å
shape_rg	18.89 Å
total_rg	19.78 Å
total_atoms	2078
n_residues	221
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	69.9 Å
rg_real	19.85 Å
rg_real_error	0.63 Å
i0_real	9.8320e+06
i0_real_error	1.3760e+05
rg_reciprocal	19.86 Å
i0_reciprocal	9832000.0000
total_estimate	0.7864
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	22.6 Å
skewness	0.275
kurtosis	-0.416
angular_range	— – 0.4000 Å⁻¹
current_alpha	0.0000
highest_alpha	1677000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.765; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.925; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

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6. Citations (1)

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length_a	81.700 Å
length_b	81.700 Å
length_c	84.500 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 41 21 2
int_tables_number	92
crystal_system	—

resolution	2.300 Å
resolution_low	20.000 Å
r_factor	0.2270
r_work	0.2270
r_free	0.3090

description	TOPOISOMERASE I
formula_weight	27275.0 kDa
ec_number	5.99.1.2
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	2570

TYPE 1-TOPOISOMERASE CATALYTIC FRAGMENT FROM VACCINIA VIRUS

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 (3)

Entity 1 polymer

Polymer

Source

Entity 2 non-polymer

Entity 3 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Vaccinia virus
ncbi_taxonomy_id	10245
host_organism	Escherichia coli BL21

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	1

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	164

fit	/app/data/saxs_computation/a4/1a41/1a41.fit
pddf	/app/data/pr_computation/a4/1a41/1a41.pr.out
profile	/app/data/saxs_computation/a4/1a41/1a41.dat