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1ch8

;STRUCTURE OF ADENYLOSUCCINATE SYNTHETASE FROM E. COLI COMPLEXED WITH A STRINGENT EFFECTOR, PPG2':3'P ;

Method: X-RAY DIFFRACTION D_max: 73.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ch8
deposition_date	1999-03-31
title	;STRUCTURE OF ADENYLOSUCCINATE SYNTHETASE FROM E. COLI COMPLEXED WITH A STRINGENT EFFECTOR, PPG2':3'P ;
keywords	;LIGASE, ADENYLOSUCCINATE SYNTHETASE, GTP-HYDROLYSING ENZYMES, PURINE 2 NUCLEOTIDE BIOSYNTHESIS, PPGPP, PPG2':3'P, STRINGENT EFFECTOR ;; 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	22.57 Å
rg_electron	21.81 Å
i0	40720900.00
molecular_weight	48263.0 kDa
excluded_volume	59978 Å³
envelope_volume	67832 Å³
shell_volume	25616 Å³
envelope_diameter	75.8 Å
shell_rg	29.18 Å
envelope_rg	22.12 Å
shape_rg	21.82 Å
total_rg	22.61 Å
total_atoms	3388
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	73.3 Å
rg_real	22.51 Å
rg_real_error	0.35 Å
i0_real	4.0720e+07
i0_real_error	4.9930e+05
rg_reciprocal	22.52 Å
i0_reciprocal	40720000.0000
total_estimate	0.8900
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	26.7 Å
skewness	0.307
kurtosis	-0.307
angular_range	— – 0.3500 Å⁻¹
current_alpha	0.0000
highest_alpha	9445000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.856; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.998

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4. Crystallography & Experiment

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5. Entities & Polymer Info (7)

Entity 1 polymer

description	PROTEIN (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	3742

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 2':3'-CYCLIC MONOPHOSPHATE ;
formula_weight	505.2 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	354

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6. Citations (1)

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length_a	80.300 Å
length_b	80.300 Å
length_c	158.200 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	2.500 Å
resolution_low	5.000 Å
r_factor	0.1900
r_work	0.1900
r_free	0.2500

fit	/app/data/saxs_computation/ch/1ch8/1ch8.fit
pddf	/app/data/pr_computation/ch/1ch8/1ch8.pr.out
profile	/app/data/saxs_computation/ch/1ch8/1ch8.dat