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1f48

CRYSTAL STRUCTURE OF THE ESCHERICHIA COLI ARSENITE-TRANSLOCATING ATPASE

Method: X-RAY DIFFRACTION D_max: 74.8 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1f48
deposition_date	2000-06-07
title	CRYSTAL STRUCTURE OF THE ESCHERICHIA COLI ARSENITE-TRANSLOCATING ATPASE
keywords	p-loop, antimonite binding site, ATP binding site, HYDROLASE; HYDROLASE
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	24.93 Å
rg_electron	23.85 Å
i0	68086700.00
molecular_weight	61641.0 kDa
excluded_volume	75873 Å³
envelope_volume	91721 Å³
shell_volume	31252 Å³
envelope_diameter	76.5 Å
shell_rg	31.87 Å
envelope_rg	23.73 Å
shape_rg	23.87 Å
total_rg	24.64 Å
total_atoms	4250
n_residues	548
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	74.8 Å
rg_real	24.76 Å
rg_real_error	0.42 Å
i0_real	6.8090e+07
i0_real_error	9.8770e+05
rg_reciprocal	24.80 Å
i0_reciprocal	68090000.0000
total_estimate	0.9100
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	30.9 Å
skewness	0.153
kurtosis	-0.495
angular_range	— – 0.3200 Å⁻¹
current_alpha	0.0000
highest_alpha	14970000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.952; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.989; Smooth: 0.983

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4. Crystallography & Experiment

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5. Entities & Polymer Info (8)

Entity 1 polymer

description	ARSENITE-TRANSLOCATING ATPASE
formula_weight	64085.0 kDa
ec_number	3.6.1.-
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4467

MQFLQNIPPYLFFTGKGGVGKTSISCATAIRLAEQGKRVLLVSTDPASNVGQVFSQTIGNTIQAIASVPGLSALEIDPQAAAQQYRARIVDPIKGVLPDDVVSSINEQLSGACTTEIAAFDEFTGLLTDASLLTRFDHIIFDTAPTGHTIRLLQLPGAWSSFIDSNPEGASCLGPMAGLEKQREQYAYAVEALSDPKRTRLVLVARLQKSTLQEVARTHLELAAIGLKNQYLVINGVLPKTEAANDTLAAAIWEREQEALANLPADLAGLPTDTLFLQPVNMVGVSALSRLLSTQPVASPSSDEYLQQRPDIPSLSALVDDIARNEHGLIMLMGKGGVGKTTMAAAIAVRLADMGFDVHLTTSDPAAHLSMTLNGSLNNLQVSRIDPHEETERYRQHVLETKGKELDEAGKRLLEEDLRSPCTEEIAVFQAFSRVIREAGKRFVVMDTAPTGHTLLLLDATGAYHREIAKKMGEKGHFTTPMMLLQDPERTKVLLVTLPETTPVLEAANLQADLERAGIHPWGWIINNSLSIADTRSPLLRMRAQQELPQIESVKRQHASRVALVPVLASEPTGIDKLKQLAGHHHHHH

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	ANTIMONY (III) ION
formula_weight	121.8 kDa
src_method	syn
entity_count	3

Entity 3 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	CADMIUM ION
formula_weight	112.4 kDa
src_method	syn
entity_count	6

Entity 5 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	3

Entity 6 non-polymer

description	TRIHYDROXYANTIMONITE(III)
formula_weight	172.8 kDa
src_method	syn
entity_count	1

Entity 7 non-polymer

description	ADENOSINE-5'-DIPHOSPHATE
formula_weight	427.2 kDa
src_method	syn
entity_count	2

Entity 8 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	217

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6. Citations (1)

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length_a	73.523 Å
length_b	75.715 Å
length_c	222.714 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	I 2 2 2
int_tables_number	23
crystal_system	—

resolution	2.300 Å
resolution_low	26.370 Å
r_factor	0.2060
r_work	0.2060
r_free	0.2630

fit	/app/data/saxs_computation/f4/1f48/1f48.fit
pddf	/app/data/pr_computation/f4/1f48/1f48.pr.out
profile	/app/data/saxs_computation/f4/1f48/1f48.dat