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1cib

STRUCTURE OF ADENYLOSUCCINATE SYNTHETASE FROM E. COLI COMPLEXED WITH GDP, IMP, HADACIDIN, AND NO3

Method: X-RAY DIFFRACTION D_max: 73.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cib
deposition_date	1999-03-31
title	STRUCTURE OF ADENYLOSUCCINATE SYNTHETASE FROM E. COLI COMPLEXED WITH GDP, IMP, HADACIDIN, AND NO3
keywords	LIGASE, GTP-HYDROLYSING ENZYMES, PURINE 2 NUCLEOTIDE BIOSYNTHESIS, GDP; LIGASE
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	22.58 Å
rg_electron	21.82 Å
i0	40311200.00
molecular_weight	48201.0 kDa
excluded_volume	59959 Å³
envelope_volume	68044 Å³
shell_volume	25648 Å³
envelope_diameter	76.8 Å
shell_rg	29.14 Å
envelope_rg	22.18 Å
shape_rg	21.83 Å
total_rg	22.61 Å
total_atoms	3385
n_residues	431
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	73.4 Å
rg_real	22.52 Å
rg_real_error	0.38 Å
i0_real	4.0310e+07
i0_real_error	5.3320e+05
rg_reciprocal	22.53 Å
i0_reciprocal	40310000.0000
total_estimate	0.8897
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	26.7 Å
skewness	0.308
kurtosis	-0.305
angular_range	— – 0.3500 Å⁻¹
current_alpha	0.0000
highest_alpha	9490000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.855; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.996

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4. Crystallography & Experiment

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5. Entities & Polymer Info (7)

Entity 1 polymer

description	ADENYLOSUCCINATE SYNTHETASE
formula_weight	47269.6 kDa
ec_number	6.3.4.4
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3795

GNNVVVLGTQWGDEGKGKIVDLLTERAKYVVRYQGGHNAGHTLVINGEKTVLHLIPSGILRENVTSIIGNGVVLSPAALMKEMKELEDRGIPVRERLLLSEACPLILDYHVALDNAREKARGAKAIGTTGRGIGPAYEDKVARRGLRVGDLFDKETFAEKLKEVMEYHNFQLVNYYKAEAVDYQKVLDDTMAVADILTSMVVDVSDLLDQARQRGDFVMFEGAQGTLLDIDHGTYPYVTSSNTTAGGVATGSGLGPRYVDYVLGILKAYSTRVGAGPFPTELFDETGEFLCKQGNEFGATTGRRRRTGWLDTVAVRRAVQLNSLSGFCLTKLDVLDGLKEVKLCVAYRMPDGREVTTTPLAADDWKGVEPIYETMPGWSESTFGVKDRSGLPQAALNYIKRIEELTGVPIDIISTGPDRTETMILRDPFDA

Source

organism	Escherichia coli
ncbi_taxonomy_id	83333
host_organism	Escherichia coli

Entity 2 non-polymer

description	NITRATE ION
formula_weight	62.0 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	GUANOSINE-5'-DIPHOSPHATE
formula_weight	443.2 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

description	HADACIDIN
formula_weight	119.1 kDa
src_method	syn
entity_count	1

Entity 6 non-polymer

description	INOSINIC ACID
formula_weight	348.2 kDa
src_method	syn
entity_count	1

Entity 7 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	410

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6. Citations (1)

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length_a	80.600 Å
length_b	80.600 Å
length_c	158.500 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 32 2 1
int_tables_number	154
crystal_system	—

resolution	2.300 Å
resolution_low	6.000 Å
r_factor	0.1700
r_work	0.1700
r_free	0.2400

fit	/app/data/saxs_computation/ci/1cib/1cib.fit
pddf	/app/data/pr_computation/ci/1cib/1cib.pr.out
profile	/app/data/saxs_computation/ci/1cib/1cib.dat