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1ei1

DIMERIZATION OF E. COLI DNA GYRASE B PROVIDES A STRUCTURAL MECHANISM FOR ACTIVATING THE ATPASE CATALYTIC CENTER

Method: X-RAY DIFFRACTION D_max: 86.9 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ei1
deposition_date	2000-02-23
title	DIMERIZATION OF E. COLI DNA GYRASE B PROVIDES A STRUCTURAL MECHANISM FOR ACTIVATING THE ATPASE CATALYTIC CENTER
keywords	ATPase domain, dimer, 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	28.98 Å
rg_electron	28.02 Å
i0	132043000.00
molecular_weight	87512.0 kDa
excluded_volume	108220 Å³
envelope_volume	130780 Å³
shell_volume	38026 Å³
envelope_diameter	90.9 Å
shell_rg	36.22 Å
envelope_rg	27.86 Å
shape_rg	28.01 Å
total_rg	28.79 Å
total_atoms	6145
n_residues	782
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	86.9 Å
rg_real	28.82 Å
rg_real_error	0.46 Å
i0_real	1.3200e+08
i0_real_error	1.7770e+06
rg_reciprocal	28.89 Å
i0_reciprocal	132000000.0000
total_estimate	0.9130
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	37.9 Å
skewness	0.079
kurtosis	-0.616
angular_range	— – 0.2750 Å⁻¹
current_alpha	0.0000
highest_alpha	22770000.0000
n_real_points	56
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.969; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.995; Smooth: 0.964

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	DNA GYRASE B
formula_weight	43083.5 kDa
ec_number	5.99.1.3
mutation	Y5S, Y405S
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	6674

SNSSDSSSIKVLKGLDAVRKRPGMYIGDTDDGTGLHHMVFEVVDNAIDEALAGHCKEIIVTIHADNSVSVQDDGRGIPTGIHPEEGVSAAEVIMTVLHAGGKFDDNSYKVSGGLHGVGVSVVNALSQKLELVIQREGKIHRQIYEHGVPQAPLAVTGETEKTGTMVRFWPSLETFTNVTEFEYEILAKRLRELSFLDSGVSIRLRDKRDGKEDHFHYEGGIKAFVEYLNKNKTPIHPNIFYFSTEKDGIGVEVALQWNDGFQENIYCFTNNIPQRDGGTHLAGFRAAMTRTLNAYMDKEGYSKKAKVSATGDDAREGLIAVVSVKVPDPKFSSQTKDKLVSSEVKSAVEQQMNELLAEYLLENPTDAKIVVGKIIDAARAREAARRAREMT

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	3

Entity 3 non-polymer

description	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
formula_weight	506.2 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	505

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6. Citations (3)

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length_a	84.700 Å
length_b	137.400 Å
length_c	78.900 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 2
int_tables_number	18
crystal_system	—

resolution	2.300 Å
resolution_low	6.000 Å
r_factor	—
r_work	0.1660
r_free	0.2660

fit	/app/data/saxs_computation/ei/1ei1/1ei1.fit
pddf	/app/data/pr_computation/ei/1ei1/1ei1.pr.out
profile	/app/data/saxs_computation/ei/1ei1/1ei1.dat